methyl 2-[[4-[(2-chlorophenyl)sulfonylcarbamoylsulfamoyl]phenyl]carbamothioylsulfanyl]ethanoate

Systemtic Name: methyl 2-[[4-[(2-chlorophenyl)sulfonylcarbamoylsulfamoyl]phenyl]carbamothioylsulfanyl]ethanoate Openeye Name: methyl 2-[[4-[(2-chlorophenyl)sulfonylcarbamoylsulfamoyl]phenyl]carbamothioylsulfanyl]acetate CAS Name: 2-[[[4-[[[(2-chlorophenyl)sulfonylamino]-oxomethyl]sulfamoyl]anilino]-sulfanylidenemethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-[(2-chlorophenyl)sulfonylcarbamoylsulfamoyl]phenyl]carbamothioylsulfanyl]acetate Traditional Name: 2-[[4-[(2-chlorophenyl)sulfonylcarbamoylsulfamoyl]phenyl]thiocarbamoylthio]acetic acid methyl ester Formula: C17H16ClN3O7S4 MolecularWeight: 538.03784

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)NS(=O)(=O)C2=CC=CC=C2Cl

Isomeric SMILES

COC(=O)CSC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)NS(=O)(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C17H16ClN3O7S4/c1-28-15(22)10-30-17(29)19-11-6-8-12(9-7-11)31(24,25)20-16(23)21-32(26,27)14-5-3-2-4-13(14)18/h2-9H,10H2,1H3,(H,19,29)(H2,20,21,23)