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

Systemtic Name: 2-azanyl-4-(3-cyanophenyl)-6-methyl-5-methylsulfonyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 2-amino-4-(3-cyanophenyl)-6-methyl-5-methylsulfonyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2-amino-4-(3-cyanophenyl)-6-methyl-5-methylsulfonyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2-amino-4-(3-cyanophenyl)-6-methyl-5-methylsulfonyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 2-amino-4-(3-cyanophenyl)-5-mesyl-6-methyl-1,4-dihydropyridine-3-carboxylic acid Formula: C15H15N3O4S MolecularWeight: 333.3623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)N)C(=O)O)C2=CC=CC(=C2)C#N)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(C(=C(N1)N)C(=O)O)C2=CC=CC(=C2)C#N)S(=O)(=O)C

InChI

InChI=1S/C15H15N3O4S/c1-8-13(23(2,21)22)11(12(15(19)20)14(17)18-8)10-5-3-4-9(6-10)7-16/h3-6,11,18H,17H2,1-2H3,(H,19,20)