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

Systemtic Name: 2-[[4-(4-fluoranyl-2-methoxy-phenyl)piperazin-1-yl]methyl]-1-(phenylmethyl)sulfonyl-3,4-dihydro-2H-quinoline Openeye Name: 1-benzylsulfonyl-2-[[4-(4-fluoro-2-methoxy-phenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinoline CAS Name: 2-[[4-(4-fluoro-2-methoxyphenyl)-1-piperazinyl]methyl]-1-(phenylmethyl)sulfonyl-3,4-dihydro-2H-quinoline IUPAC Name: 1-benzylsulfonyl-2-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinoline Traditional Name: 1-benzylsulfonyl-2-[[4-(4-fluoro-2-methoxy-phenyl)piperazino]methyl]-3,4-dihydro-2H-quinoline Formula: C28H32FN3O3S MolecularWeight: 509.635383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)F)N2CCN(CC2)CC3CCC4=CC=CC=C4N3S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)F)N2CCN(CC2)CC3CCC4=CC=CC=C4N3S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C28H32FN3O3S/c1-35-28-19-24(29)12-14-27(28)31-17-15-30(16-18-31)20-25-13-11-23-9-5-6-10-26(23)32(25)36(33,34)21-22-7-3-2-4-8-22/h2-10,12,14,19,25H,11,13,15-18,20-21H2,1H3