ethyl 4-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-phenethyl-sulfamoyl]benzoate

Systemtic Name: ethyl 4-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-phenethyl-sulfamoyl]benzoate Openeye Name: ethyl 4-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-phenethyl-sulfamoyl]benzoate CAS Name: 4-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-phenethylsulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-phenethylsulfamoyl]benzoate Traditional Name: 4-[(2-keto-6,8-dimethyl-1H-quinolin-3-yl)methyl-phenethyl-sulfamoyl]benzoic acid ethyl ester Formula: C29H30N2O5S MolecularWeight: 518.6239

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC3=CC4=CC(=CC(=C4NC3=O)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC3=CC4=CC(=CC(=C4NC3=O)C)C

InChI

InChI=1S/C29H30N2O5S/c1-4-36-29(33)23-10-12-26(13-11-23)37(34,35)31(15-14-22-8-6-5-7-9-22)19-25-18-24-17-20(2)16-21(3)27(24)30-28(25)32/h5-13,16-18H,4,14-15,19H2,1-3H3,(H,30,32)