6-azanyl-2-methyl-4-(2-methylphenyl)-5-methylsulfonyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 6-azanyl-2-methyl-4-(2-methylphenyl)-5-methylsulfonyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 6-amino-2-methyl-5-methylsulfonyl-4-(o-tolyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 6-amino-2-methyl-4-(2-methylphenyl)-5-methylsulfonyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 6-amino-2-methyl-4-(2-methylphenyl)-5-methylsulfonyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 6-amino-5-mesyl-2-methyl-4-(o-tolyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C(=C(NC(=C2S(=O)(=O)C)N)C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2C(=C(NC(=C2S(=O)(=O)C)N)C)C(=O)O

InChI

InChI=1S/C15H18N2O4S/c1-8-6-4-5-7-10(8)12-11(15(18)19)9(2)17-14(16)13(12)22(3,20)21/h4-7,12,17H,16H2,1-3H3,(H,18,19)