4-(1,2-diphenylethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-(1,2-diphenylethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)-3-nitro-benzenesulfonamide Openeye Name: 4-(1,2-diphenylethylamino)-N-methyl-N-(1-methyl-4-piperidyl)-3-nitro-benzenesulfonamide CAS Name: 4-(1,2-diphenylethylamino)-N-methyl-N-(1-methyl-4-piperidinyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-(1,2-diphenylethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)-3-nitrobenzenesulfonamide Traditional Name: 4-(1,2-diphenylethylamino)-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)NC(CC3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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