2-[2,6,6-trimethyl-4-oxidanylidene-3-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-5,7-dihydroindol-1-yl]ethanoic acid

Systemtic Name: 2-[2,6,6-trimethyl-4-oxidanylidene-3-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-5,7-dihydroindol-1-yl]ethanoic acid Openeye Name: 2-[2,6,6-trimethyl-4-oxo-3-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-5,7-dihydroindol-1-yl]acetic acid CAS Name: 2-[2,6,6-trimethyl-4-oxo-3-[[4-(1-pyrrolidinylsulfonyl)phenyl]thio]-5,7-dihydroindol-1-yl]acetic acid IUPAC Name: 2-[2,6,6-trimethyl-4-oxo-3-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-5,7-dihydroindol-1-yl]acetic acid Traditional Name: 2-[4-keto-2,6,6-trimethyl-3-[(4-pyrrolidinosulfonylphenyl)thio]-5,7-dihydroindol-1-yl]acetic acid Formula: C23H28N2O5S2 MolecularWeight: 476.60882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)O)CC(CC2=O)(C)C)SC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)CC(CC2=O)(C)C)SC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H28N2O5S2/c1-15-22(21-18(25(15)14-20(27)28)12-23(2,3)13-19(21)26)31-16-6-8-17(9-7-16)32(29,30)24-10-4-5-11-24/h6-9H,4-5,10-14H2,1-3H3,(H,27,28)