methyl (4S)-2-azanyl-4-(3-nitrophenyl)-5-oxidanylidene-1-(4-sulfamoylphenyl)-4,6,7,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: methyl (4S)-2-azanyl-4-(3-nitrophenyl)-5-oxidanylidene-1-(4-sulfamoylphenyl)-4,6,7,8-tetrahydroquinoline-3-carboxylate Openeye Name: methyl (4S)-2-amino-4-(3-nitrophenyl)-5-oxo-1-(4-sulfamoylphenyl)-4,6,7,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2-amino-4-(3-nitrophenyl)-5-oxo-1-(4-sulfamoylphenyl)-4,6,7,8-tetrahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-2-amino-4-(3-nitrophenyl)-5-oxo-1-(4-sulfamoylphenyl)-4,6,7,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-2-amino-5-keto-4-(3-nitrophenyl)-1-(4-sulfamoylphenyl)-4,6,7,8-tetrahydroquinoline-3-carboxylic acid methyl ester Formula: C23H22N4O7S MolecularWeight: 498.50838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C2=C(C1C3=CC(=CC=C3)[N+](=O)[O-])C(=O)CCC2)C4=CC=C(C=C4)S(=O)(=O)N)N

Isomeric SMILES

COC(=O)C1=C(N(C2=C([C@@H]1C3=CC(=CC=C3)[N+](=O)[O-])C(=O)CCC2)C4=CC=C(C=C4)S(=O)(=O)N)N

InChI

InChI=1S/C23H22N4O7S/c1-34-23(29)21-19(13-4-2-5-15(12-13)27(30)31)20-17(6-3-7-18(20)28)26(22(21)24)14-8-10-16(11-9-14)35(25,32)33/h2,4-5,8-12,19H,3,6-7,24H2,1H3,(H2,25,32,33)/t19-/m0/s1