methyl 4-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-oxidanylpropyl)sulfamoyl]benzoate

Systemtic Name: methyl 4-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-oxidanylpropyl)sulfamoyl]benzoate Openeye Name: methyl 4-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-hydroxypropyl)sulfamoyl]benzoate CAS Name: 4-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-hydroxypropyl)sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-hydroxypropyl)sulfamoyl]benzoate Traditional Name: 4-[3-hydroxypropyl-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]sulfamoyl]benzoic acid methyl ester Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CCCO)S(=O)(=O)C3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CCCO)S(=O)(=O)C3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C23H26N2O6S/c1-15-5-6-18-13-19(22(27)24-21(18)16(15)2)14-25(11-4-12-26)32(29,30)20-9-7-17(8-10-20)23(28)31-3/h5-10,13,26H,4,11-12,14H2,1-3H3,(H,24,27)