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

Systemtic Name: 4-(1,3-diphenylpropan-2-ylamino)-N-methyl-N-(1-methylpiperidin-4-yl)-3-nitro-benzenesulfonamide Openeye Name: 4-[(1-benzyl-2-phenyl-ethyl)amino]-N-methyl-N-(1-methyl-4-piperidyl)-3-nitro-benzenesulfonamide CAS Name: 4-(1,3-diphenylpropan-2-ylamino)-N-methyl-N-(1-methyl-4-piperidinyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-(1,3-diphenylpropan-2-ylamino)-N-methyl-N-(1-methylpiperidin-4-yl)-3-nitrobenzenesulfonamide Traditional Name: 4-[(1-benzyl-2-phenyl-ethyl)amino]-N-methyl-N-(1-methyl-4-piperidyl)-3-nitro-benzenesulfonamide Formula: C28H34N4O4S MolecularWeight: 522.65896

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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)CC4=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)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H34N4O4S/c1-30-17-15-25(16-18-30)31(2)37(35,36)26-13-14-27(28(21-26)32(33)34)29-24(19-22-9-5-3-6-10-22)20-23-11-7-4-8-12-23/h3-14,21,24-25,29H,15-20H2,1-2H3