1-[6-fluoranyl-1-(phenylsulfonyl)indol-2-yl]-4,4-dimethoxy-cyclohexa-2,5-dien-1-ol

Systemtic Name: 1-[6-fluoranyl-1-(phenylsulfonyl)indol-2-yl]-4,4-dimethoxy-cyclohexa-2,5-dien-1-ol Openeye Name: 1-[1-(benzenesulfonyl)-6-fluoro-indol-2-yl]-4,4-dimethoxy-cyclohexa-2,5-dien-1-ol CAS Name: 1-[1-(benzenesulfonyl)-6-fluoro-2-indolyl]-4,4-dimethoxy-1-cyclohexa-2,5-dienol IUPAC Name: 1-[1-(benzenesulfonyl)-6-fluoroindol-2-yl]-4,4-dimethoxycyclohexa-2,5-dien-1-ol Traditional Name: 1-(1-besyl-6-fluoro-indol-2-yl)-4,4-dimethoxy-cyclohexa-2,5-dien-1-ol Formula: C22H20FNO5S MolecularWeight: 429.461303

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C=CC(C=C1)(C2=CC3=C(N2S(=O)(=O)C4=CC=CC=C4)C=C(C=C3)F)O)OC

Isomeric SMILES

COC1(C=CC(C=C1)(C2=CC3=C(N2S(=O)(=O)C4=CC=CC=C4)C=C(C=C3)F)O)OC

InChI

InChI=1S/C22H20FNO5S/c1-28-22(29-2)12-10-21(25,11-13-22)20-14-16-8-9-17(23)15-19(16)24(20)30(26,27)18-6-4-3-5-7-18/h3-15,25H,1-2H3