N-[3-(furan-2-ylmethylcarbamoyl)-1-methyl-pyrazol-4-yl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(furan-2-ylmethylcarbamoyl)-1-methyl-pyrazol-4-yl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-(2-furylmethylcarbamoyl)-1-methyl-pyrazol-4-yl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[3-[(2-furanylmethylamino)-oxomethyl]-1-methyl-4-pyrazolyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(2-furfurylcarbamoyl)-1-methyl-pyrazol-4-yl]-1-mesyl-isonipecotamide Formula: C17H23N5O5S MolecularWeight: 409.46002

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NCC2=CC=CO2)NC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NCC2=CC=CO2)NC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C17H23N5O5S/c1-21-11-14(15(20-21)17(24)18-10-13-4-3-9-27-13)19-16(23)12-5-7-22(8-6-12)28(2,25)26/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,18,24)(H,19,23)