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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C26H25NO7S/c1-34-20-11-6-17(7-12-20)8-15-22(25(28)29)18-9-13-21(14-10-18)35(32,33)27-23-5-3-2-4-19(23)16-24(27)26(30)31/h2-7,9-14,22,24H,8,15-16H2,1H3,(H,28,29)(H,30,31)