N-[4-(cyanomethyl)phenyl]-1-(6-fluoranylquinolin-4-yl)-N-propan-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-1-(6-fluoranylquinolin-4-yl)-N-propan-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(cyanomethyl)phenyl]-1-(6-fluoro-4-quinolyl)-N-isopropylsulfonyl-piperidine-4-carboxamide CAS Name: N-[4-(cyanomethyl)phenyl]-1-(6-fluoro-4-quinolinyl)-N-propan-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-1-(6-fluoroquinolin-4-yl)-N-propan-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(cyanomethyl)phenyl]-1-(6-fluoro-4-quinolyl)-N-isopropylsulfonyl-isonipecotamide Formula: C26H27FN4O3S MolecularWeight: 494.580983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N(C1=CC=C(C=C1)CC#N)C(=O)C2CCN(CC2)C3=C4C=C(C=CC4=NC=C3)F

Isomeric SMILES

CC(C)S(=O)(=O)N(C1=CC=C(C=C1)CC#N)C(=O)C2CCN(CC2)C3=C4C=C(C=CC4=NC=C3)F

InChI

InChI=1S/C26H27FN4O3S/c1-18(2)35(33,34)31(22-6-3-19(4-7-22)9-13-28)26(32)20-11-15-30(16-12-20)25-10-14-29-24-8-5-21(27)17-23(24)25/h3-8,10,14,17-18,20H,9,11-12,15-16H2,1-2H3