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

Systemtic Name: 3-nitro-N-[1-phenyl-3-[4-(phenylmethyl)piperidin-1-yl]propyl]benzenesulfonamide Openeye Name: N-[3-(4-benzyl-1-piperidyl)-1-phenyl-propyl]-3-nitro-benzenesulfonamide CAS Name: 3-nitro-N-[1-phenyl-3-[4-(phenylmethyl)-1-piperidinyl]propyl]benzenesulfonamide IUPAC Name: N-[3-(4-benzylpiperidin-1-yl)-1-phenylpropyl]-3-nitrobenzenesulfonamide Traditional Name: N-[3-(4-benzylpiperidino)-1-phenyl-propyl]-3-nitro-benzenesulfonamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O4S/c31-30(32)25-12-7-13-26(21-25)35(33,34)28-27(24-10-5-2-6-11-24)16-19-29-17-14-23(15-18-29)20-22-8-3-1-4-9-22/h1-13,21,23,27-28H,14-20H2