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

Systemtic Name: 6-azanyl-2-methyl-4-(3-nitrophenyl)-5-(phenylsulfonyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 6-amino-5-(benzenesulfonyl)-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 6-amino-5-(benzenesulfonyl)-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 6-amino-5-(benzenesulfonyl)-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 6-amino-5-besyl-2-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)S(=O)(=O)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

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