5,6-dimethoxy-1-[3-methyl-4-[4-(4-methylphenyl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]phenyl]sulfonyl-indole-2-carboxylic acid

Systemtic Name: 5,6-dimethoxy-1-[3-methyl-4-[4-(4-methylphenyl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]phenyl]sulfonyl-indole-2-carboxylic acid Openeye Name: 1-[4-[1-carboxy-3-(p-tolyl)propyl]-3-methyl-phenyl]sulfonyl-5,6-dimethoxy-indole-2-carboxylic acid CAS Name: 1-[4-[1-hydroxy-4-(4-methylphenyl)-1-oxobutan-2-yl]-3-methylphenyl]sulfonyl-5,6-dimethoxy-2-indolecarboxylic acid IUPAC Name: 1-[4-[1-hydroxy-4-(4-methylphenyl)-1-oxobutan-2-yl]-3-methylphenyl]sulfonyl-5,6-dimethoxyindole-2-carboxylic acid Traditional Name: 1-[4-[1-carboxy-3-(p-tolyl)propyl]-3-methyl-phenyl]sulfonyl-5,6-dimethoxy-indole-2-carboxylic acid Formula: C29H29NO8S MolecularWeight: 551.60746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(C2=C(C=C(C=C2)S(=O)(=O)N3C4=CC(=C(C=C4C=C3C(=O)O)OC)OC)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CCC(C2=C(C=C(C=C2)S(=O)(=O)N3C4=CC(=C(C=C4C=C3C(=O)O)OC)OC)C)C(=O)O

InChI

InChI=1S/C29H29NO8S/c1-17-5-7-19(8-6-17)9-11-23(28(31)32)22-12-10-21(13-18(22)2)39(35,36)30-24-16-27(38-4)26(37-3)15-20(24)14-25(30)29(33)34/h5-8,10,12-16,23H,9,11H2,1-4H3,(H,31,32)(H,33,34)