[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 4-chloranyl-3-sulfamoyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 4-chloranyl-3-sulfamoyl-benzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-chloro-3-sulfamoyl-benzoate CAS Name: 4-chloro-3-sulfamoylbenzoic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-chloro-3-sulfamoylbenzoate Traditional Name: 4-chloro-3-sulfamoyl-benzoic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C21H17ClN2O5S2 MolecularWeight: 476.95308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N

InChI

InChI=1S/C21H17ClN2O5S2/c22-16-11-10-14(12-19(16)31(23,27)28)21(26)29-13-20(25)24-17-8-4-5-9-18(17)30-15-6-2-1-3-7-15/h1-12H,13H2,(H,24,25)(H2,23,27,28)