3-nitro-N-[4-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl]benzenesulfonamide

Systemtic Name: 3-nitro-N-[4-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl]benzenesulfonamide Openeye Name: N-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-3-nitro-benzenesulfonamide CAS Name: 3-nitro-N-[4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl]benzenesulfonamide IUPAC Name: N-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-3-nitro-benzenesulfonamide Formula: C24H24N4O5S MolecularWeight: 480.53616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N4O5S/c29-24(27-15-13-26(14-16-27)18-19-5-2-1-3-6-19)20-9-11-21(12-10-20)25-34(32,33)23-8-4-7-22(17-23)28(30)31/h1-12,17,25H,13-16,18H2