methyl (4S)-2-azanyl-4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxidanylidene-1-(4-sulfamoylphenyl)-6,8-dihydro-4H-quinoline-3-carboxylate

Systemtic Name: methyl (4S)-2-azanyl-4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxidanylidene-1-(4-sulfamoylphenyl)-6,8-dihydro-4H-quinoline-3-carboxylate Openeye Name: methyl (4S)-2-amino-4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-1-(4-sulfamoylphenyl)-6,8-dihydro-4H-quinoline-3-carboxylate CAS Name: (4S)-2-amino-4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-1-(4-sulfamoylphenyl)-6,8-dihydro-4H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-2-amino-4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-1-(4-sulfamoylphenyl)-6,8-dihydro-4H-quinoline-3-carboxylate Traditional Name: (4S)-2-amino-4-(1,3-benzodioxol-5-yl)-5-keto-7,7-dimethyl-1-(4-sulfamoylphenyl)-6,8-dihydro-4H-quinoline-3-carboxylic acid methyl ester Formula: C26H27N3O7S MolecularWeight: 525.57348

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)S(=O)(=O)N)N)C(=O)OC)C4=CC5=C(C=C4)OCO5)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@@H](C(=C(N2C3=CC=C(C=C3)S(=O)(=O)N)N)C(=O)OC)C4=CC5=C(C=C4)OCO5)C(=O)C1)C

InChI

InChI=1S/C26H27N3O7S/c1-26(2)11-17-22(18(30)12-26)21(14-4-9-19-20(10-14)36-13-35-19)23(25(31)34-3)24(27)29(17)15-5-7-16(8-6-15)37(28,32)33/h4-10,21H,11-13,27H2,1-3H3,(H2,28,32,33)/t21-/m0/s1