4-[4-(4-fluorophenyl)piperazin-1-yl]-6,7-dimethoxy-3-(phenylsulfonyl)quinoline

Systemtic Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-6,7-dimethoxy-3-(phenylsulfonyl)quinoline Openeye Name: 3-(benzenesulfonyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6,7-dimethoxy-quinoline CAS Name: 3-(benzenesulfonyl)-4-[4-(4-fluorophenyl)-1-piperazinyl]-6,7-dimethoxyquinoline IUPAC Name: 3-(benzenesulfonyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinoline Traditional Name: 3-besyl-4-[4-(4-fluorophenyl)piperazino]-6,7-dimethoxy-quinoline Formula: C27H26FN3O4S MolecularWeight: 507.576443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)S(=O)(=O)C3=CC=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)S(=O)(=O)C3=CC=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)F)OC

InChI

InChI=1S/C27H26FN3O4S/c1-34-24-16-22-23(17-25(24)35-2)29-18-26(36(32,33)21-6-4-3-5-7-21)27(22)31-14-12-30(13-15-31)20-10-8-19(28)9-11-20/h3-11,16-18H,12-15H2,1-2H3