1-[3-(4-fluorophenyl)sulfonyl-4-oxidanyl-phenoxy]-4,6-dimethyl-indole-2-carboxylic acid

Systemtic Name: 1-[3-(4-fluorophenyl)sulfonyl-4-oxidanyl-phenoxy]-4,6-dimethyl-indole-2-carboxylic acid Openeye Name: 1-[3-(4-fluorophenyl)sulfonyl-4-hydroxy-phenoxy]-4,6-dimethyl-indole-2-carboxylic acid CAS Name: 1-[3-(4-fluorophenyl)sulfonyl-4-hydroxyphenoxy]-4,6-dimethyl-2-indolecarboxylic acid IUPAC Name: 1-[3-(4-fluorophenyl)sulfonyl-4-hydroxyphenoxy]-4,6-dimethylindole-2-carboxylic acid Traditional Name: 1-[3-(4-fluorophenyl)sulfonyl-4-hydroxy-phenoxy]-4,6-dimethyl-indole-2-carboxylic acid Formula: C23H18FNO6S MolecularWeight: 455.455523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(N(C2=C1)OC3=CC(=C(C=C3)O)S(=O)(=O)C4=CC=C(C=C4)F)C(=O)O)C

Isomeric SMILES

CC1=CC(=C2C=C(N(C2=C1)OC3=CC(=C(C=C3)O)S(=O)(=O)C4=CC=C(C=C4)F)C(=O)O)C

InChI

InChI=1S/C23H18FNO6S/c1-13-9-14(2)18-12-20(23(27)28)25(19(18)10-13)31-16-5-8-21(26)22(11-16)32(29,30)17-6-3-15(24)4-7-17/h3-12,26H,1-2H3,(H,27,28)