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

Systemtic Name: 1-[3-methyl-4-[4-(4-methylphenyl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]phenyl]sulfonylindole-2-carboxylic acid Openeye Name: 1-[4-[1-carboxy-3-(p-tolyl)propyl]-3-methyl-phenyl]sulfonylindole-2-carboxylic acid CAS Name: 1-[4-[1-hydroxy-4-(4-methylphenyl)-1-oxobutan-2-yl]-3-methylphenyl]sulfonyl-2-indolecarboxylic acid IUPAC Name: 1-[4-[1-hydroxy-4-(4-methylphenyl)-1-oxobutan-2-yl]-3-methylphenyl]sulfonylindole-2-carboxylic acid Traditional Name: 1-[4-[1-carboxy-3-(p-tolyl)propyl]-3-methyl-phenyl]sulfonylindole-2-carboxylic acid Formula: C27H25NO6S MolecularWeight: 491.5555

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25NO6S/c1-17-7-9-19(10-8-17)11-13-23(26(29)30)22-14-12-21(15-18(22)2)35(33,34)28-24-6-4-3-5-20(24)16-25(28)27(31)32/h3-10,12,14-16,23H,11,13H2,1-2H3,(H,29,30)(H,31,32)