BZW

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

Created:	2017-11-02
Last modified:	2018-06-06

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1 entries where BZW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	51
Chiral Atom Count	1
Bond Count	53
Aromatic Bond Count	12

2D diagram of BZW

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Chemical Component Summary
Name	4-[(3~{S})-4-ethanoyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
Systematic Name (OpenEye OEToolkits)	4-[(3~{S})-4-ethanoyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
Formula	C₂₀ H₂₃ N₃ O₄ S
Molecular Weight	401.479
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(=O)N1CCN(C[CH]1Cc2ccccc2)C(=O)c3ccc(cc3)[S](N)(=O)=O
SMILES	OpenEye OEToolkits	2.0.6	CC(=O)N1CCN(CC1Cc2ccccc2)C(=O)c3ccc(cc3)S(=O)(=O)N
Canonical SMILES	CACTVS	3.385	CC(=O)N1CCN(C[C@@H]1Cc2ccccc2)C(=O)c3ccc(cc3)[S](N)(=O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC(=O)N1CCN(C[C@@H]1Cc2ccccc2)C(=O)c3ccc(cc3)S(=O)(=O)N
InChI	InChI	1.03	InChI=1S/C20H23N3O4S/c1-15(24)23-12-11-22(14-18(23)13-16-5-3-2-4-6-16)20(25)17-7-9-19(10-8-17)28(21,26)27/h2-10,18H,11-14H2,1H3,(H2,21,26,27)/t18-/m0/s1
InChIKey	InChI	1.03	YHSOVHWCSACWJK-SFHVURJKSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL4166970
PubChem	134158397
ChEMBL	CHEMBL4166970

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