N-[2-[(3-fluoranyl-4-methyl-phenyl)carbonylamino]ethyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-[(3-fluoranyl-4-methyl-phenyl)carbonylamino]ethyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-[(3-fluoro-4-methyl-benzoyl)amino]ethyl]-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-[[(3-fluoro-4-methylphenyl)-oxomethyl]amino]ethyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-[(3-fluoro-4-methyl-benzoyl)amino]ethyl]-1-(3-pyridylsulfonyl)isonipecotamide Formula: C21H25FN4O4S MolecularWeight: 448.511003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3)F

InChI

InChI=1S/C21H25FN4O4S/c1-15-4-5-17(13-19(15)22)21(28)25-10-9-24-20(27)16-6-11-26(12-7-16)31(29,30)18-3-2-8-23-14-18/h2-5,8,13-14,16H,6-7,9-12H2,1H3,(H,24,27)(H,25,28)