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

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

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)OC

InChI

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