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

Systemtic Name: 1-[4-[4-(4-methoxyphenyl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]-3-methyl-phenyl]sulfonyl-5-oxidanyl-indole-2-carboxylic acid Openeye Name: 1-[4-[1-carboxy-3-(4-methoxyphenyl)propyl]-3-methyl-phenyl]sulfonyl-5-hydroxy-indole-2-carboxylic acid CAS Name: 5-hydroxy-1-[4-[1-hydroxy-4-(4-methoxyphenyl)-1-oxobutan-2-yl]-3-methylphenyl]sulfonyl-2-indolecarboxylic acid IUPAC Name: 5-hydroxy-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]sulfonyl-5-hydroxy-indole-2-carboxylic acid Formula: C27H25NO8S MolecularWeight: 523.5543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2C3=C(C=C(C=C3)O)C=C2C(=O)O)C(CCC4=CC=C(C=C4)OC)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2C3=C(C=C(C=C3)O)C=C2C(=O)O)C(CCC4=CC=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C27H25NO8S/c1-16-13-21(37(34,35)28-24-12-6-19(29)14-18(24)15-25(28)27(32)33)9-11-22(16)23(26(30)31)10-5-17-3-7-20(36-2)8-4-17/h3-4,6-9,11-15,23,29H,5,10H2,1-2H3,(H,30,31)(H,32,33)