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

Systemtic Name: 1-[4-[4-(2-methoxyphenyl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]phenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid Openeye Name: 1-[4-[1-carboxy-3-(2-methoxyphenyl)propyl]phenyl]sulfonylindoline-2-carboxylic acid CAS Name: 1-[4-[1-hydroxy-4-(2-methoxyphenyl)-1-oxobutan-2-yl]phenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid IUPAC Name: 1-[4-[1-hydroxy-4-(2-methoxyphenyl)-1-oxobutan-2-yl]phenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid Traditional Name: 1-[4-[1-carboxy-3-(2-methoxyphenyl)propyl]phenyl]sulfonylindoline-2-carboxylic acid Formula: C26H25NO7S MolecularWeight: 495.5442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCC(C2=CC=C(C=C2)S(=O)(=O)N3C(CC4=CC=CC=C43)C(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1CCC(C2=CC=C(C=C2)S(=O)(=O)N3C(CC4=CC=CC=C43)C(=O)O)C(=O)O

InChI

InChI=1S/C26H25NO7S/c1-34-24-9-5-3-6-18(24)12-15-21(25(28)29)17-10-13-20(14-11-17)35(32,33)27-22-8-4-2-7-19(22)16-23(27)26(30)31/h2-11,13-14,21,23H,12,15-16H2,1H3,(H,28,29)(H,30,31)