6-azanyl-4-(2-cyanophenyl)-2-(dimethylamino)-5-(phenylsulfonyl)-3,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 6-azanyl-4-(2-cyanophenyl)-2-(dimethylamino)-5-(phenylsulfonyl)-3,4-dihydropyridine-3-carboxylic acid Openeye Name: 6-amino-5-(benzenesulfonyl)-4-(2-cyanophenyl)-2-(dimethylamino)-3,4-dihydropyridine-3-carboxylic acid CAS Name: 6-amino-5-(benzenesulfonyl)-4-(2-cyanophenyl)-2-(dimethylamino)-3,4-dihydropyridine-3-carboxylic acid IUPAC Name: 6-amino-5-(benzenesulfonyl)-4-(2-cyanophenyl)-2-(dimethylamino)-3,4-dihydropyridine-3-carboxylic acid Traditional Name: 6-amino-5-besyl-4-(2-cyanophenyl)-2-(dimethylamino)-3,4-dihydropyridine-3-carboxylic acid Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=C(C(C1C(=O)O)C2=CC=CC=C2C#N)S(=O)(=O)C3=CC=CC=C3)N

Isomeric SMILES

CN(C)C1=NC(=C(C(C1C(=O)O)C2=CC=CC=C2C#N)S(=O)(=O)C3=CC=CC=C3)N

InChI

InChI=1S/C21H20N4O4S/c1-25(2)20-17(21(26)27)16(15-11-7-6-8-13(15)12-22)18(19(23)24-20)30(28,29)14-9-4-3-5-10-14/h3-11,16-17H,23H2,1-2H3,(H,26,27)