4-[4-[benzo[e][1,3]benzothiazol-2-yl(methyl)amino]piperidin-1-yl]-1-(4-fluorophenyl)butan-1-ol

Systemtic Name: 4-[4-[benzo[e][1,3]benzothiazol-2-yl(methyl)amino]piperidin-1-yl]-1-(4-fluorophenyl)butan-1-ol Openeye Name: 4-[4-[benzo[e][1,3]benzothiazol-2-yl(methyl)amino]-1-piperidyl]-1-(4-fluorophenyl)butan-1-ol CAS Name: 4-[4-[2-benzo[e][1,3]benzothiazolyl(methyl)amino]-1-piperidinyl]-1-(4-fluorophenyl)-1-butanol IUPAC Name: 4-[4-[benzo[e][1,3]benzothiazol-2-yl(methyl)amino]piperidin-1-yl]-1-(4-fluorophenyl)butan-1-ol Traditional Name: 4-[4-[benzo[e][1,3]benzothiazol-2-yl(methyl)amino]piperidino]-1-(4-fluorophenyl)butan-1-ol Formula: C27H30FN3OS MolecularWeight: 463.610003

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(CC1)CCCC(C2=CC=C(C=C2)F)O)C3=NC4=C(S3)C=CC5=CC=CC=C54

Isomeric SMILES

CN(C1CCN(CC1)CCCC(C2=CC=C(C=C2)F)O)C3=NC4=C(S3)C=CC5=CC=CC=C54

InChI

InChI=1S/C27H30FN3OS/c1-30(27-29-26-23-6-3-2-5-19(23)10-13-25(26)33-27)22-14-17-31(18-15-22)16-4-7-24(32)20-8-11-21(28)12-9-20/h2-3,5-6,8-13,22,24,32H,4,7,14-18H2,1H3