1-ethyl-N-methyl-4-[3-(phenylsulfonyl)propanoylamino]pyrazole-3-carboxamide

Systemtic Name: 1-ethyl-N-methyl-4-[3-(phenylsulfonyl)propanoylamino]pyrazole-3-carboxamide Openeye Name: 4-[3-(benzenesulfonyl)propanoylamino]-1-ethyl-N-methyl-pyrazole-3-carboxamide CAS Name: 4-[[3-(benzenesulfonyl)-1-oxopropyl]amino]-1-ethyl-N-methyl-3-pyrazolecarboxamide IUPAC Name: 4-[3-(benzenesulfonyl)propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide Traditional Name: 4-(3-besylpropanoylamino)-1-ethyl-N-methyl-pyrazole-3-carboxamide Formula: C16H20N4O4S MolecularWeight: 364.4194

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC)NC(=O)CCS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC)NC(=O)CCS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H20N4O4S/c1-3-20-11-13(15(19-20)16(22)17-2)18-14(21)9-10-25(23,24)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,17,22)(H,18,21)