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

Systemtic Name: 1-[3-methyl-4-[4-(4-methylphenyl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]phenyl]sulfonyl-5-oxidanyl-indole-2-carboxylic acid Openeye Name: 1-[4-[1-carboxy-3-(p-tolyl)propyl]-3-methyl-phenyl]sulfonyl-5-hydroxy-indole-2-carboxylic acid CAS Name: 5-hydroxy-1-[4-[1-hydroxy-4-(4-methylphenyl)-1-oxobutan-2-yl]-3-methylphenyl]sulfonyl-2-indolecarboxylic acid IUPAC Name: 5-hydroxy-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]sulfonyl-5-hydroxy-indole-2-carboxylic acid Formula: C27H25NO7S MolecularWeight: 507.5549

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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=C(C=C(C=C4)O)C=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=C(C=C(C=C4)O)C=C3C(=O)O)C)C(=O)O

InChI

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