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

Systemtic Name: 5-[3-(cyclopentylmethylsulfonyl)-4-oxidanyl-phenoxy]-4,6-dimethyl-1H-indole-2-carboxylic acid Openeye Name: 5-[3-(cyclopentylmethylsulfonyl)-4-hydroxy-phenoxy]-4,6-dimethyl-1H-indole-2-carboxylic acid CAS Name: 5-[3-(cyclopentylmethylsulfonyl)-4-hydroxyphenoxy]-4,6-dimethyl-1H-indole-2-carboxylic acid IUPAC Name: 5-[3-(cyclopentylmethylsulfonyl)-4-hydroxyphenoxy]-4,6-dimethyl-1H-indole-2-carboxylic acid Traditional Name: 5-[3-(cyclopentylmethylsulfonyl)-4-hydroxy-phenoxy]-4,6-dimethyl-1H-indole-2-carboxylic acid Formula: C23H25NO6S MolecularWeight: 443.5127

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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)CC4CCCC4)C

Isomeric SMILES

CC1=CC2=C(C=C(N2)C(=O)O)C(=C1OC3=CC(=C(C=C3)O)S(=O)(=O)CC4CCCC4)C

InChI

InChI=1S/C23H25NO6S/c1-13-9-18-17(11-19(24-18)23(26)27)14(2)22(13)30-16-7-8-20(25)21(10-16)31(28,29)12-15-5-3-4-6-15/h7-11,15,24-25H,3-6,12H2,1-2H3,(H,26,27)