methyl 2-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-phenethyl-sulfamoyl]benzoate

Systemtic Name: methyl 2-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-phenethyl-sulfamoyl]benzoate Openeye Name: methyl 2-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-phenethyl-sulfamoyl]benzoate CAS Name: 2-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-phenethylsulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-phenethylsulfamoyl]benzoate Traditional Name: 2-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl-phenethyl-sulfamoyl]benzoic acid methyl ester Formula: C28H28N2O5S MolecularWeight: 504.59732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4C(=O)OC)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4C(=O)OC)C

InChI

InChI=1S/C28H28N2O5S/c1-19-15-20(2)24-17-22(27(31)29-25(24)16-19)18-30(14-13-21-9-5-4-6-10-21)36(33,34)26-12-8-7-11-23(26)28(32)35-3/h4-12,15-17H,13-14,18H2,1-3H3,(H,29,31)