N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-methylsulfonyl-piperidine-2-carboxamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-methylsulfonyl-piperidine-2-carboxamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-1-methylsulfonyl-piperidine-2-carboxamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1-methylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylsulfonylpiperidine-2-carboxamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-1-mesyl-pipecolinamide Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3CCCCN3S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3CCCCN3S(=O)(=O)C

InChI

InChI=1S/C18H24N4O4S/c1-13-16(18(24)22(20(13)2)14-9-5-4-6-10-14)19-17(23)15-11-7-8-12-21(15)27(3,25)26/h4-6,9-10,15H,7-8,11-12H2,1-3H3,(H,19,23)