1-(4-fluorophenyl)-4-[(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)methyl-methyl-amino]butan-1-one

Systemtic Name: 1-(4-fluorophenyl)-4-[(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)methyl-methyl-amino]butan-1-one Openeye Name: 1-(4-fluorophenyl)-4-[[1-(5-isoquinolylsulfonyl)-4-piperidyl]methyl-methyl-amino]butan-1-one CAS Name: 1-(4-fluorophenyl)-4-[[1-(5-isoquinolinylsulfonyl)-4-piperidinyl]methyl-methylamino]-1-butanone IUPAC Name: 1-(4-fluorophenyl)-4-[(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)methyl-methylamino]butan-1-one Traditional Name: 1-(4-fluorophenyl)-4-[[1-(5-isoquinolylsulfonyl)-4-piperidyl]methyl-methyl-amino]butan-1-one Formula: C26H30FN3O3S MolecularWeight: 483.598103

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)C1=CC=C(C=C1)F)CC2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CN(CCCC(=O)C1=CC=C(C=C1)F)CC2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C26H30FN3O3S/c1-29(15-3-5-25(31)21-7-9-23(27)10-8-21)19-20-12-16-30(17-13-20)34(32,33)26-6-2-4-22-18-28-14-11-24(22)26/h2,4,6-11,14,18,20H,3,5,12-13,15-17,19H2,1H3