1-[4-[4-(4-methoxyphenyl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]-3-methyl-phenyl]sulfonylindole-2-carboxylic acid

Systemtic Name: 1-[4-[4-(4-methoxyphenyl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]-3-methyl-phenyl]sulfonylindole-2-carboxylic acid Openeye Name: 1-[4-[1-carboxy-3-(4-methoxyphenyl)propyl]-3-methyl-phenyl]sulfonylindole-2-carboxylic acid CAS Name: 1-[4-[1-hydroxy-4-(4-methoxyphenyl)-1-oxobutan-2-yl]-3-methylphenyl]sulfonyl-2-indolecarboxylic acid IUPAC Name: 1-[4-[1-hydroxy-4-(4-methoxyphenyl)-1-oxobutan-2-yl]-3-methylphenyl]sulfonylindole-2-carboxylic acid Traditional Name: 1-[4-[1-carboxy-3-(4-methoxyphenyl)propyl]-3-methyl-phenyl]sulfonylindole-2-carboxylic acid Formula: C27H25NO7S MolecularWeight: 507.5549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25NO7S/c1-17-15-21(36(33,34)28-24-6-4-3-5-19(24)16-25(28)27(31)32)12-14-22(17)23(26(29)30)13-9-18-7-10-20(35-2)11-8-18/h3-8,10-12,14-16,23H,9,13H2,1-2H3,(H,29,30)(H,31,32)