[2-[[5-(dimethylsulfamoyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl] 2-quinoxalin-2-ylsulfanylethanoate

Systemtic Name: [2-[[5-(dimethylsulfamoyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl] 2-quinoxalin-2-ylsulfanylethanoate Openeye Name: [2-[5-(dimethylsulfamoyl)-2-methoxy-anilino]-2-oxo-ethyl] 2-quinoxalin-2-ylsulfanylacetate CAS Name: 2-(2-quinoxalinylthio)acetic acid [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] ester IUPAC Name: [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate Traditional Name: 2-(quinoxalin-2-ylthio)acetic acid [2-[5-(dimethylsulfamoyl)-2-methoxy-anilino]-2-keto-ethyl] ester Formula: C21H22N4O6S2 MolecularWeight: 490.55258

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3N=C2

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3N=C2

InChI

InChI=1S/C21H22N4O6S2/c1-25(2)33(28,29)14-8-9-18(30-3)17(10-14)23-19(26)12-31-21(27)13-32-20-11-22-15-6-4-5-7-16(15)24-20/h4-11H,12-13H2,1-3H3,(H,23,26)