N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(3-methylsulfanylphenyl)sulfamoyl]-4-oxidanylidene-1H-quinoline-3-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(3-methylsulfanylphenyl)sulfamoyl]-4-oxidanylidene-1H-quinoline-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(3-methylsulfanylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[[3-(methylthio)phenyl]sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(3-methylsulfanylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide Traditional Name: N-homoveratryl-4-keto-6-[[3-(methylthio)phenyl]sulfamoyl]-1H-quinoline-3-carboxamide Formula: C27H27N3O6S2 MolecularWeight: 553.64978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CNC3=C(C2=O)C=C(C=C3)S(=O)(=O)NC4=CC(=CC=C4)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CNC3=C(C2=O)C=C(C=C3)S(=O)(=O)NC4=CC(=CC=C4)SC)OC

InChI

InChI=1S/C27H27N3O6S2/c1-35-24-10-7-17(13-25(24)36-2)11-12-28-27(32)22-16-29-23-9-8-20(15-21(23)26(22)31)38(33,34)30-18-5-4-6-19(14-18)37-3/h4-10,13-16,30H,11-12H2,1-3H3,(H,28,32)(H,29,31)