methyl 3-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-phenethyl-sulfamoyl]benzoate

Systemtic Name: methyl 3-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-phenethyl-sulfamoyl]benzoate Openeye Name: methyl 3-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl-phenethyl-sulfamoyl]benzoate CAS Name: 3-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl-phenethylsulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl-phenethylsulfamoyl]benzoate Traditional Name: 3-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl-phenethyl-sulfamoyl]benzoic acid methyl ester Formula: C27H26N2O5S MolecularWeight: 490.57074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC(=C4)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC(=C4)C(=O)OC

InChI

InChI=1S/C27H26N2O5S/c1-19-11-12-21-16-23(26(30)28-25(21)15-19)18-29(14-13-20-7-4-3-5-8-20)35(32,33)24-10-6-9-22(17-24)27(31)34-2/h3-12,15-17H,13-14,18H2,1-2H3,(H,28,30)