1-(4-fluorophenyl)-1-[3-[4-[[isoquinolin-5-ylsulfonyl(methyl)amino]methyl]piperidin-1-yl]propyl]urea

Systemtic Name: 1-(4-fluorophenyl)-1-[3-[4-[[isoquinolin-5-ylsulfonyl(methyl)amino]methyl]piperidin-1-yl]propyl]urea Openeye Name: 1-(4-fluorophenyl)-1-[3-[4-[[5-isoquinolylsulfonyl(methyl)amino]methyl]-1-piperidyl]propyl]urea CAS Name: 1-(4-fluorophenyl)-1-[3-[4-[[5-isoquinolinylsulfonyl(methyl)amino]methyl]-1-piperidinyl]propyl]urea IUPAC Name: 1-(4-fluorophenyl)-1-[3-[4-[[isoquinolin-5-ylsulfonyl(methyl)amino]methyl]piperidin-1-yl]propyl]urea Traditional Name: 1-(4-fluorophenyl)-1-[3-[4-[[5-isoquinolylsulfonyl(methyl)amino]methyl]piperidino]propyl]urea Formula: C26H32FN5O3S MolecularWeight: 513.627383

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCN(CC1)CCCN(C2=CC=C(C=C2)F)C(=O)N)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CN(CC1CCN(CC1)CCCN(C2=CC=C(C=C2)F)C(=O)N)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C26H32FN5O3S/c1-30(36(34,35)25-5-2-4-21-18-29-13-10-24(21)25)19-20-11-16-31(17-12-20)14-3-15-32(26(28)33)23-8-6-22(27)7-9-23/h2,4-10,13,18,20H,3,11-12,14-17,19H2,1H3,(H2,28,33)