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

Systemtic Name: 4-[[6-[bis(methylsulfonyl)amino]-3-oxidanylidene-1,2-dihydroinden-5-yl]sulfanyl]benzoic acid Openeye Name: 4-[6-[bis(methylsulfonyl)amino]-3-oxo-indan-5-yl]sulfanylbenzoic acid CAS Name: 4-[[6-[bis(methylsulfonyl)amino]-3-oxo-1,2-dihydroinden-5-yl]thio]benzoic acid IUPAC Name: 4-[[6-[bis(methylsulfonyl)amino]-3-oxo-1,2-dihydroinden-5-yl]sulfanyl]benzoic acid Traditional Name: 4-[[6-(dimesylamino)-3-keto-indan-5-yl]thio]benzoic acid Formula: C18H17NO7S3 MolecularWeight: 455.52508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO7S3/c1-28(23,24)19(29(2,25)26)15-9-12-5-8-16(20)14(12)10-17(15)27-13-6-3-11(4-7-13)18(21)22/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,21,22)