[2-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxo-ethyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic 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] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-keto-2-[3-(1-pyrrolin-2-ylsulfamoyl)anilino]ethyl] ester Formula: C21H18ClN3O5S2 MolecularWeight: 491.96772

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H18ClN3O5S2/c22-19-15-7-1-2-8-16(15)31-20(19)21(27)30-12-18(26)24-13-5-3-6-14(11-13)32(28,29)25-17-9-4-10-23-17/h1-3,5-8,11H,4,9-10,12H2,(H,23,25)(H,24,26)