N-(furan-2-ylmethyl)-1-methyl-4-[3-(phenylsulfonyl)propanoylamino]pyrazole-3-carboxamide

Systemtic Name: N-(furan-2-ylmethyl)-1-methyl-4-[3-(phenylsulfonyl)propanoylamino]pyrazole-3-carboxamide Openeye Name: 4-[3-(benzenesulfonyl)propanoylamino]-N-(2-furylmethyl)-1-methyl-pyrazole-3-carboxamide CAS Name: 4-[[3-(benzenesulfonyl)-1-oxopropyl]amino]-N-(2-furanylmethyl)-1-methyl-3-pyrazolecarboxamide IUPAC Name: 4-[3-(benzenesulfonyl)propanoylamino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide Traditional Name: 4-(3-besylpropanoylamino)-N-(2-furfuryl)-1-methyl-pyrazole-3-carboxamide Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NCC2=CC=CO2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NCC2=CC=CO2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H20N4O5S/c1-23-13-16(18(22-23)19(25)20-12-14-6-5-10-28-14)21-17(24)9-11-29(26,27)15-7-3-2-4-8-15/h2-8,10,13H,9,11-12H2,1H3,(H,20,25)(H,21,24)