[4-(3-chlorophenyl)sulfonyl-3-nitro-phenyl]-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [4-(3-chlorophenyl)sulfonyl-3-nitro-phenyl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[4-(3-chlorophenyl)sulfonyl-3-nitro-phenyl]methanone CAS Name: [4-(3-chlorophenyl)sulfonyl-3-nitrophenyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[4-(3-chlorophenyl)sulfonyl-3-nitrophenyl]methanone Traditional Name: (4-benzylpiperazino)-[4-(3-chlorophenyl)sulfonyl-3-nitro-phenyl]methanone Formula: C24H22ClN3O5S MolecularWeight: 499.96658

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)S(=O)(=O)C4=CC(=CC=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)S(=O)(=O)C4=CC(=CC=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H22ClN3O5S/c25-20-7-4-8-21(16-20)34(32,33)23-10-9-19(15-22(23)28(30)31)24(29)27-13-11-26(12-14-27)17-18-5-2-1-3-6-18/h1-10,15-16H,11-14,17H2