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

Systemtic Name: 3-nitro-N-[4-[4-(phenylmethyl)piperidin-1-yl]carbonylphenyl]benzenesulfonamide Openeye Name: N-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-nitro-benzenesulfonamide CAS Name: 3-nitro-N-[4-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]phenyl]benzenesulfonamide IUPAC Name: N-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-nitro-benzenesulfonamide Formula: C25H25N3O5S MolecularWeight: 479.5481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H25N3O5S/c29-25(27-15-13-20(14-16-27)17-19-5-2-1-3-6-19)21-9-11-22(12-10-21)26-34(32,33)24-8-4-7-23(18-24)28(30)31/h1-12,18,20,26H,13-17H2