2-acetamido-3-methyl-3-[[6-(methylsulfonylamino)-3-oxidanylidene-1,2-dihydroinden-2-yl]sulfanyl]butanoic acid

Systemtic Name: 2-acetamido-3-methyl-3-[[6-(methylsulfonylamino)-3-oxidanylidene-1,2-dihydroinden-2-yl]sulfanyl]butanoic acid Openeye Name: 2-acetamido-3-[5-(methanesulfonamido)-1-oxo-indan-2-yl]sulfanyl-3-methyl-butanoic acid CAS Name: 2-acetamido-3-[[6-(methanesulfonamido)-3-oxo-1,2-dihydroinden-2-yl]thio]-3-methylbutanoic acid IUPAC Name: 2-acetamido-3-[[6-(methanesulfonamido)-3-oxo-1,2-dihydroinden-2-yl]sulfanyl]-3-methylbutanoic acid Traditional Name: 2-acetamido-3-[[1-keto-5-(methanesulfonamido)indan-2-yl]thio]-3-methyl-butyric acid Formula: C17H22N2O6S2 MolecularWeight: 414.49638

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(=O)O)C(C)(C)SC1CC2=C(C1=O)C=CC(=C2)NS(=O)(=O)C

Isomeric SMILES

CC(=O)NC(C(=O)O)C(C)(C)SC1CC2=C(C1=O)C=CC(=C2)NS(=O)(=O)C

InChI

InChI=1S/C17H22N2O6S2/c1-9(20)18-15(16(22)23)17(2,3)26-13-8-10-7-11(19-27(4,24)25)5-6-12(10)14(13)21/h5-7,13,15,19H,8H2,1-4H3,(H,18,20)(H,22,23)