1-[4-[4-(4-methylphenyl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]phenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid

Systemtic Name: 1-[4-[4-(4-methylphenyl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]phenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid Openeye Name: 1-[4-[1-carboxy-3-(p-tolyl)propyl]phenyl]sulfonylindoline-2-carboxylic acid CAS Name: 1-[4-[1-hydroxy-4-(4-methylphenyl)-1-oxobutan-2-yl]phenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid IUPAC Name: 1-[4-[1-hydroxy-4-(4-methylphenyl)-1-oxobutan-2-yl]phenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid Traditional Name: 1-[4-[1-carboxy-3-(p-tolyl)propyl]phenyl]sulfonylindoline-2-carboxylic acid Formula: C26H25NO6S MolecularWeight: 479.5448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(C2=CC=C(C=C2)S(=O)(=O)N3C(CC4=CC=CC=C43)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CCC(C2=CC=C(C=C2)S(=O)(=O)N3C(CC4=CC=CC=C43)C(=O)O)C(=O)O

InChI

InChI=1S/C26H25NO6S/c1-17-6-8-18(9-7-17)10-15-22(25(28)29)19-11-13-21(14-12-19)34(32,33)27-23-5-3-2-4-20(23)16-24(27)26(30)31/h2-9,11-14,22,24H,10,15-16H2,1H3,(H,28,29)(H,30,31)