5-[3-(cyclohexylmethylsulfonyl)-4-oxidanyl-phenoxy]-4,6-dimethyl-1H-indole-2-carboxylic acid

Systemtic Name: 5-[3-(cyclohexylmethylsulfonyl)-4-oxidanyl-phenoxy]-4,6-dimethyl-1H-indole-2-carboxylic acid Openeye Name: 5-[3-(cyclohexylmethylsulfonyl)-4-hydroxy-phenoxy]-4,6-dimethyl-1H-indole-2-carboxylic acid CAS Name: 5-[3-(cyclohexylmethylsulfonyl)-4-hydroxyphenoxy]-4,6-dimethyl-1H-indole-2-carboxylic acid IUPAC Name: 5-[3-(cyclohexylmethylsulfonyl)-4-hydroxyphenoxy]-4,6-dimethyl-1H-indole-2-carboxylic acid Traditional Name: 5-[3-(cyclohexylmethylsulfonyl)-4-hydroxy-phenoxy]-4,6-dimethyl-1H-indole-2-carboxylic acid Formula: C24H27NO6S MolecularWeight: 457.53928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C(N2)C(=O)O)C(=C1OC3=CC(=C(C=C3)O)S(=O)(=O)CC4CCCCC4)C

Isomeric SMILES

CC1=CC2=C(C=C(N2)C(=O)O)C(=C1OC3=CC(=C(C=C3)O)S(=O)(=O)CC4CCCCC4)C

InChI

InChI=1S/C24H27NO6S/c1-14-10-19-18(12-20(25-19)24(27)28)15(2)23(14)31-17-8-9-21(26)22(11-17)32(29,30)13-16-6-4-3-5-7-16/h8-12,16,25-26H,3-7,13H2,1-2H3,(H,27,28)