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

Systemtic Name: 2-[2,6,6-trimethyl-4-oxidanylidene-3-[(2-pyrrolidin-1-ylsulfonylphenyl)methyl]-5,7-dihydroindol-1-yl]ethanoic acid Openeye Name: 2-[2,6,6-trimethyl-4-oxo-3-[(2-pyrrolidin-1-ylsulfonylphenyl)methyl]-5,7-dihydroindol-1-yl]acetic acid CAS Name: 2-[2,6,6-trimethyl-4-oxo-3-[[2-(1-pyrrolidinylsulfonyl)phenyl]methyl]-5,7-dihydroindol-1-yl]acetic acid IUPAC Name: 2-[2,6,6-trimethyl-4-oxo-3-[(2-pyrrolidin-1-ylsulfonylphenyl)methyl]-5,7-dihydroindol-1-yl]acetic acid Traditional Name: 2-[4-keto-2,6,6-trimethyl-3-(2-pyrrolidinosulfonylbenzyl)-5,7-dihydroindol-1-yl]acetic acid Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)O)CC(CC2=O)(C)C)CC3=CC=CC=C3S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)CC(CC2=O)(C)C)CC3=CC=CC=C3S(=O)(=O)N4CCCC4

InChI

InChI=1S/C24H30N2O5S/c1-16-18(23-19(26(16)15-22(28)29)13-24(2,3)14-20(23)27)12-17-8-4-5-9-21(17)32(30,31)25-10-6-7-11-25/h4-5,8-9H,6-7,10-15H2,1-3H3,(H,28,29)