4-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-nitro-N-phenyl-benzenesulfonamide

Systemtic Name: 4-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-nitro-N-phenyl-benzenesulfonamide Openeye Name: 4-[4-(azepane-1-carbonyl)-1-piperidyl]-3-nitro-N-phenyl-benzenesulfonamide CAS Name: 4-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-3-nitro-N-phenylbenzenesulfonamide IUPAC Name: 4-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-nitro-N-phenylbenzenesulfonamide Traditional Name: 4-[4-(azepane-1-carbonyl)piperidino]-3-nitro-N-phenyl-benzenesulfonamide Formula: C24H30N4O5S MolecularWeight: 486.5838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H30N4O5S/c29-24(27-14-6-1-2-7-15-27)19-12-16-26(17-13-19)22-11-10-21(18-23(22)28(30)31)34(32,33)25-20-8-4-3-5-9-20/h3-5,8-11,18-19,25H,1-2,6-7,12-17H2