benzenesulfonic acid; O5-[1-[3,3-diphenylpropyl(methyl)amino]-2-methyl-propan-2-yl] O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: benzenesulfonic acid; O5-[1-[3,3-diphenylpropyl(methyl)amino]-2-methyl-propan-2-yl] O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: benzenesulfonic acid; O5-[2-[3,3-diphenylpropyl(methyl)amino]-1,1-dimethyl-ethyl] O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: benzenesulfonic acid; 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] ester O3-methyl ester IUPAC Name: benzenesulfonic acid; 5-O-[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: besylic acid; 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[2-[3,3-diphenylpropyl(methyl)amino]-1,1-dimethyl-ethyl] ester O3-methyl ester Formula: C42H47N3O9S MolecularWeight: 769.90228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)CN(C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)CN(C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C36H41N3O6.C6H6O3S/c1-24-31(34(40)44-6)33(28-18-13-19-29(22-28)39(42)43)32(25(2)37-24)35(41)45-36(3,4)23-38(5)21-20-30(26-14-9-7-10-15-26)27-16-11-8-12-17-27;7-10(8,9)6-4-2-1-3-5-6/h7-19,22,30,33,37H,20-21,23H2,1-6H3;1-5H,(H,7,8,9)