2-[2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(2-methylsulfonylanilino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(2-methylsulfonylanilino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(2-methylsulfonylanilino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-(2-mesylanilino)ethyl]thio]benzoic acid Formula: C16H15NO5S2 MolecularWeight: 365.424

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1NC(=O)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1NC(=O)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H15NO5S2/c1-24(21,22)14-9-5-3-7-12(14)17-15(18)10-23-13-8-4-2-6-11(13)16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20)