N-(2-cyanoethyl)-N-methyl-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-sulfonamide

Systemtic Name: N-(2-cyanoethyl)-N-methyl-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-sulfonamide Openeye Name: 1-benzyl-N-(2-cyanoethyl)-N-methyl-3-(2-thienyl)pyrazole-4-sulfonamide CAS Name: N-(2-cyanoethyl)-N-methyl-1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolesulfonamide IUPAC Name: 1-benzyl-N-(2-cyanoethyl)-N-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide Traditional Name: 1-benzyl-N-(2-cyanoethyl)-N-methyl-3-(2-thienyl)pyrazole-4-sulfonamide Formula: C18H18N4O2S2 MolecularWeight: 386.49112

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)S(=O)(=O)C1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3

Isomeric SMILES

CN(CCC#N)S(=O)(=O)C1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3

InChI

InChI=1S/C18H18N4O2S2/c1-21(11-6-10-19)26(23,24)17-14-22(13-15-7-3-2-4-8-15)20-18(17)16-9-5-12-25-16/h2-5,7-9,12,14H,6,11,13H2,1H3