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

Systemtic Name: 1-[4-[4-(3,4-dimethoxyphenyl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]phenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid Openeye Name: 1-[4-[1-carboxy-3-(3,4-dimethoxyphenyl)propyl]phenyl]sulfonylindoline-2-carboxylic acid CAS Name: 1-[4-[4-(3,4-dimethoxyphenyl)-1-hydroxy-1-oxobutan-2-yl]phenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid IUPAC Name: 1-[4-[4-(3,4-dimethoxyphenyl)-1-hydroxy-1-oxobutan-2-yl]phenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid Traditional Name: 1-[4-[1-carboxy-3-(3,4-dimethoxyphenyl)propyl]phenyl]sulfonylindoline-2-carboxylic acid Formula: C27H27NO8S MolecularWeight: 525.57018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(C2=CC=C(C=C2)S(=O)(=O)N3C(CC4=CC=CC=C43)C(=O)O)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(C2=CC=C(C=C2)S(=O)(=O)N3C(CC4=CC=CC=C43)C(=O)O)C(=O)O)OC

InChI

InChI=1S/C27H27NO8S/c1-35-24-14-8-17(15-25(24)36-2)7-13-21(26(29)30)18-9-11-20(12-10-18)37(33,34)28-22-6-4-3-5-19(22)16-23(28)27(31)32/h3-6,8-12,14-15,21,23H,7,13,16H2,1-2H3,(H,29,30)(H,31,32)