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

Systemtic Name: 1-[4-[4-(3,4-dimethoxyphenyl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]-3-methyl-phenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid Openeye Name: 1-[4-[1-carboxy-3-(3,4-dimethoxyphenyl)propyl]-3-methyl-phenyl]sulfonylindoline-2-carboxylic acid CAS Name: 1-[4-[4-(3,4-dimethoxyphenyl)-1-hydroxy-1-oxobutan-2-yl]-3-methylphenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid IUPAC Name: 1-[4-[4-(3,4-dimethoxyphenyl)-1-hydroxy-1-oxobutan-2-yl]-3-methylphenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid Traditional Name: 1-[4-[1-carboxy-3-(3,4-dimethoxyphenyl)propyl]-3-methyl-phenyl]sulfonylindoline-2-carboxylic acid Formula: C28H29NO8S MolecularWeight: 539.59676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2C(CC3=CC=CC=C32)C(=O)O)C(CCC4=CC(=C(C=C4)OC)OC)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2C(CC3=CC=CC=C32)C(=O)O)C(CCC4=CC(=C(C=C4)OC)OC)C(=O)O

InChI

InChI=1S/C28H29NO8S/c1-17-14-20(38(34,35)29-23-7-5-4-6-19(23)16-24(29)28(32)33)10-12-21(17)22(27(30)31)11-8-18-9-13-25(36-2)26(15-18)37-3/h4-7,9-10,12-15,22,24H,8,11,16H2,1-3H3,(H,30,31)(H,32,33)