4-(4-ethylsulfonylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 4-(4-ethylsulfonylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 4-(4-ethylsulfonylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 4-(4-ethylsulfonylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 4-(4-ethylsulfonylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-(4-esylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C17H19NO6S MolecularWeight: 365.40086

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)O)C)C)C(=O)O

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)O)C)C)C(=O)O

InChI

InChI=1S/C17H19NO6S/c1-4-25(23,24)12-7-5-11(6-8-12)15-13(16(19)20)9(2)18-10(3)14(15)17(21)22/h5-8,15,18H,4H2,1-3H3,(H,19,20)(H,21,22)