6-azanyl-4-(2-cyanophenyl)-2-ethyl-5-(phenylsulfonyl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 6-azanyl-4-(2-cyanophenyl)-2-ethyl-5-(phenylsulfonyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 6-amino-5-(benzenesulfonyl)-4-(2-cyanophenyl)-2-ethyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 6-amino-5-(benzenesulfonyl)-4-(2-cyanophenyl)-2-ethyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 6-amino-5-(benzenesulfonyl)-4-(2-cyanophenyl)-2-ethyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 6-amino-5-besyl-4-(2-cyanophenyl)-2-ethyl-1,4-dihydropyridine-3-carboxylic acid Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(C(=C(N1)N)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3C#N)C(=O)O

Isomeric SMILES

CCC1=C(C(C(=C(N1)N)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3C#N)C(=O)O

InChI

InChI=1S/C21H19N3O4S/c1-2-16-18(21(25)26)17(15-11-7-6-8-13(15)12-22)19(20(23)24-16)29(27,28)14-9-4-3-5-10-14/h3-11,17,24H,2,23H2,1H3,(H,25,26)