4-[[6-(methylsulfonylamino)-3-oxidanylidene-1,2-dihydroinden-5-yl]sulfanyl]benzoic acid

Systemtic Name: 4-[[6-(methylsulfonylamino)-3-oxidanylidene-1,2-dihydroinden-5-yl]sulfanyl]benzoic acid Openeye Name: 4-[6-(methanesulfonamido)-3-oxo-indan-5-yl]sulfanylbenzoic acid CAS Name: 4-[[6-(methanesulfonamido)-3-oxo-1,2-dihydroinden-5-yl]thio]benzoic acid IUPAC Name: 4-[[6-(methanesulfonamido)-3-oxo-1,2-dihydroinden-5-yl]sulfanyl]benzoic acid Traditional Name: 4-[[3-keto-6-(methanesulfonamido)indan-5-yl]thio]benzoic acid Formula: C17H15NO5S2 MolecularWeight: 377.4347

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=C2C(=C1)CCC2=O)SC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CS(=O)(=O)NC1=C(C=C2C(=C1)CCC2=O)SC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H15NO5S2/c1-25(22,23)18-14-8-11-4-7-15(19)13(11)9-16(14)24-12-5-2-10(3-6-12)17(20)21/h2-3,5-6,8-9,18H,4,7H2,1H3,(H,20,21)