2-azanyl-6-methyl-4-(3-nitrophenyl)-5-(phenylsulfonyl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 2-azanyl-6-methyl-4-(3-nitrophenyl)-5-(phenylsulfonyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 2-amino-5-(benzenesulfonyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2-amino-5-(benzenesulfonyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2-amino-5-(benzenesulfonyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 2-amino-5-besyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)N)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(C(=C(N1)N)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H17N3O6S/c1-11-17(29(27,28)14-8-3-2-4-9-14)15(16(19(23)24)18(20)21-11)12-6-5-7-13(10-12)22(25)26/h2-10,15,21H,20H2,1H3,(H,23,24)