2-[[4-(4-fluoranyl-2-methoxy-phenyl)piperazin-1-yl]methyl]-1-(phenylsulfonyl)-3,4-dihydro-2H-quinoline

Systemtic Name: 2-[[4-(4-fluoranyl-2-methoxy-phenyl)piperazin-1-yl]methyl]-1-(phenylsulfonyl)-3,4-dihydro-2H-quinoline Openeye Name: 1-(benzenesulfonyl)-2-[[4-(4-fluoro-2-methoxy-phenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinoline CAS Name: 1-(benzenesulfonyl)-2-[[4-(4-fluoro-2-methoxyphenyl)-1-piperazinyl]methyl]-3,4-dihydro-2H-quinoline IUPAC Name: 1-(benzenesulfonyl)-2-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinoline Traditional Name: 1-besyl-2-[[4-(4-fluoro-2-methoxy-phenyl)piperazino]methyl]-3,4-dihydro-2H-quinoline Formula: C27H30FN3O3S MolecularWeight: 495.608803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)F)N2CCN(CC2)CC3CCC4=CC=CC=C4N3S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)F)N2CCN(CC2)CC3CCC4=CC=CC=C4N3S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H30FN3O3S/c1-34-27-19-22(28)12-14-26(27)30-17-15-29(16-18-30)20-23-13-11-21-7-5-6-10-25(21)31(23)35(32,33)24-8-3-2-4-9-24/h2-10,12,14,19,23H,11,13,15-18,20H2,1H3