4-[bis(phenylmethyl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-[bis(phenylmethyl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)-3-nitro-benzenesulfonamide Openeye Name: 4-(dibenzylamino)-N-methyl-N-(1-methyl-4-piperidyl)-3-nitro-benzenesulfonamide CAS Name: 4-[bis(phenylmethyl)amino]-N-methyl-N-(1-methyl-4-piperidinyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-(dibenzylamino)-N-methyl-N-(1-methylpiperidin-4-yl)-3-nitrobenzenesulfonamide Traditional Name: 4-(dibenzylamino)-N-methyl-N-(1-methyl-4-piperidyl)-3-nitro-benzenesulfonamide Formula: C27H32N4O4S MolecularWeight: 508.63238

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(C)S(=O)(=O)C2=CC(=C(C=C2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1CCC(CC1)N(C)S(=O)(=O)C2=CC(=C(C=C2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H32N4O4S/c1-28-17-15-24(16-18-28)29(2)36(34,35)25-13-14-26(27(19-25)31(32)33)30(20-22-9-5-3-6-10-22)21-23-11-7-4-8-12-23/h3-14,19,24H,15-18,20-21H2,1-2H3