[2-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [2-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxo-ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-keto-2-[3-(1-pyrrolin-2-ylsulfamoyl)anilino]ethyl] ester Formula: C20H20ClN3O5S2 MolecularWeight: 481.9729

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3

InChI

InChI=1S/C20H20ClN3O5S2/c1-30-14-7-8-17(21)16(11-14)20(26)29-12-19(25)23-13-4-2-5-15(10-13)31(27,28)24-18-6-3-9-22-18/h2,4-5,7-8,10-11H,3,6,9,12H2,1H3,(H,22,24)(H,23,25)