methyl 3-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-phenethyl-sulfamoyl]benzoate

Systemtic Name: methyl 3-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-phenethyl-sulfamoyl]benzoate Openeye Name: methyl 3-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-phenethyl-sulfamoyl]benzoate CAS Name: 3-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-phenethylsulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-phenethylsulfamoyl]benzoate Traditional Name: 3-[(2-keto-5,8-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=C2C=C(C(=O)NC2=C(C=C1)C)CN(CCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC(=C4)C(=O)OC

Isomeric SMILES

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

InChI

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