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

Systemtic Name: N-(4-fluorophenyl)-N-[3-[4-[[isoquinolin-5-ylsulfonyl(methyl)amino]methyl]piperidin-1-yl]propyl]ethanamide Openeye Name: N-(4-fluorophenyl)-N-[3-[4-[[5-isoquinolylsulfonyl(methyl)amino]methyl]-1-piperidyl]propyl]acetamide CAS Name: N-(4-fluorophenyl)-N-[3-[4-[[5-isoquinolinylsulfonyl(methyl)amino]methyl]-1-piperidinyl]propyl]acetamide IUPAC Name: N-(4-fluorophenyl)-N-[3-[4-[[isoquinolin-5-ylsulfonyl(methyl)amino]methyl]piperidin-1-yl]propyl]acetamide Traditional Name: N-(4-fluorophenyl)-N-[3-[4-[[5-isoquinolylsulfonyl(methyl)amino]methyl]piperidino]propyl]acetamide Formula: C27H33FN4O3S MolecularWeight: 512.639323

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CCCN1CCC(CC1)CN(C)S(=O)(=O)C2=CC=CC3=C2C=CN=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CC(=O)N(CCCN1CCC(CC1)CN(C)S(=O)(=O)C2=CC=CC3=C2C=CN=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H33FN4O3S/c1-21(33)32(25-9-7-24(28)8-10-25)16-4-15-31-17-12-22(13-18-31)20-30(2)36(34,35)27-6-3-5-23-19-29-14-11-26(23)27/h3,5-11,14,19,22H,4,12-13,15-18,20H2,1-2H3