N-[3-[(1-methylpyrazol-3-yl)carbonylamino]phenyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-[(1-methylpyrazol-3-yl)carbonylamino]phenyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[3-[[(1-methyl-3-pyrazolyl)-oxomethyl]amino]phenyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: 1-mesyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]isonipecotamide Formula: C18H23N5O4S MolecularWeight: 405.47132

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)C(=O)NC2=CC(=CC=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CN1C=CC(=N1)C(=O)NC2=CC(=CC=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C18H23N5O4S/c1-22-9-8-16(21-22)18(25)20-15-5-3-4-14(12-15)19-17(24)13-6-10-23(11-7-13)28(2,26)27/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H,19,24)(H,20,25)