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

Systemtic Name: 5,6-dimethoxy-1-[4-[4-(4-methoxyphenyl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]-3-methyl-phenyl]sulfonyl-indole-2-carboxylic acid Openeye Name: 1-[4-[1-carboxy-3-(4-methoxyphenyl)propyl]-3-methyl-phenyl]sulfonyl-5,6-dimethoxy-indole-2-carboxylic acid CAS Name: 1-[4-[1-hydroxy-4-(4-methoxyphenyl)-1-oxobutan-2-yl]-3-methylphenyl]sulfonyl-5,6-dimethoxy-2-indolecarboxylic acid IUPAC Name: 1-[4-[1-hydroxy-4-(4-methoxyphenyl)-1-oxobutan-2-yl]-3-methylphenyl]sulfonyl-5,6-dimethoxyindole-2-carboxylic acid Traditional Name: 1-[4-[1-carboxy-3-(4-methoxyphenyl)propyl]-3-methyl-phenyl]sulfonyl-5,6-dimethoxy-indole-2-carboxylic acid Formula: C29H29NO9S MolecularWeight: 567.60686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2C3=CC(=C(C=C3C=C2C(=O)O)OC)OC)C(CCC4=CC=C(C=C4)OC)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2C3=CC(=C(C=C3C=C2C(=O)O)OC)OC)C(CCC4=CC=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C29H29NO9S/c1-17-13-21(10-12-22(17)23(28(31)32)11-7-18-5-8-20(37-2)9-6-18)40(35,36)30-24-16-27(39-4)26(38-3)15-19(24)14-25(30)29(33)34/h5-6,8-10,12-16,23H,7,11H2,1-4H3,(H,31,32)(H,33,34)