bis(3-pyridin-3-ylpropyl) 2,6-dimethyl-4-(4-sulfooxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: bis(3-pyridin-3-ylpropyl) 2,6-dimethyl-4-(4-sulfooxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: bis[3-(3-pyridyl)propyl] 2,6-dimethyl-4-(4-sulfooxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(4-sulfooxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid bis[3-(3-pyridinyl)propyl] ester IUPAC Name: bis(3-pyridin-3-ylpropyl) 2,6-dimethyl-4-(4-sulfooxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(4-sulfoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid bis[3-(3-pyridyl)propyl] ester Formula: C31H33N3O8S MolecularWeight: 607.67402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCCCC2=CN=CC=C2)C3=CC=C(C=C3)OS(=O)(=O)O)C(=O)OCCCC4=CN=CC=C4

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCCCC2=CN=CC=C2)C3=CC=C(C=C3)OS(=O)(=O)O)C(=O)OCCCC4=CN=CC=C4

InChI

InChI=1S/C31H33N3O8S/c1-21-27(30(35)40-17-5-9-23-7-3-15-32-19-23)29(25-11-13-26(14-12-25)42-43(37,38)39)28(22(2)34-21)31(36)41-18-6-10-24-8-4-16-33-20-24/h3-4,7-8,11-16,19-20,29,34H,5-6,9-10,17-18H2,1-2H3,(H,37,38,39)