N19

4-[(3~{R})-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide

Created:	2017-11-07
Last modified:	2018-10-10

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1 entries where N19 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	1
Bond Count	48
Aromatic Bond Count	12

2D diagram of N19

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Chemical Component Summary
Name	4-[(3~{R})-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
Systematic Name (OpenEye OEToolkits)	4-[(3~{R})-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
Formula	C₁₈ H₂₁ N₃ O₃ S
Molecular Weight	359.443
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN[CH](C2)Cc3ccccc3
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)CC2CN(CCN2)C(=O)c3ccc(cc3)S(=O)(=O)N
Canonical SMILES	CACTVS	3.385	N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN[C@@H](C2)Cc3ccccc3
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)C[C@@H]2CN(CCN2)C(=O)c3ccc(cc3)S(=O)(=O)N
InChI	InChI	1.03	InChI=1S/C18H21N3O3S/c19-25(23,24)17-8-6-15(7-9-17)18(22)21-11-10-20-16(13-21)12-14-4-2-1-3-5-14/h1-9,16,20H,10-13H2,(H2,19,23,24)/t16-/m1/s1
InChIKey	InChI	1.03	PUFUKRGYJIGJDK-MRXNPFEDSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL4160707
PubChem	134817795
ChEMBL	CHEMBL4160707

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.