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

Systemtic Name: ethyl 2-[[4-[(2-chlorophenyl)sulfonylcarbamoylsulfamoyl]phenyl]carbamothioylsulfanyl]ethanoate Openeye Name: ethyl 2-[[4-[(2-chlorophenyl)sulfonylcarbamoylsulfamoyl]phenyl]carbamothioylsulfanyl]acetate CAS Name: 2-[[[4-[[[(2-chlorophenyl)sulfonylamino]-oxomethyl]sulfamoyl]anilino]-sulfanylidenemethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-[(2-chlorophenyl)sulfonylcarbamoylsulfamoyl]phenyl]carbamothioylsulfanyl]acetate Traditional Name: 2-[[4-[(2-chlorophenyl)sulfonylcarbamoylsulfamoyl]phenyl]thiocarbamoylthio]acetic acid ethyl ester Formula: C18H18ClN3O7S4 MolecularWeight: 552.06442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O7S4/c1-2-29-16(23)11-31-18(30)20-12-7-9-13(10-8-12)32(25,26)21-17(24)22-33(27,28)15-6-4-3-5-14(15)19/h3-10H,2,11H2,1H3,(H,20,30)(H2,21,22,24)