3-(cyanomethyl)-2-pyrazol-1-yl-5-(4-thiophen-3-ylphenyl)benzenesulfonamide

Systemtic Name: 3-(cyanomethyl)-2-pyrazol-1-yl-5-(4-thiophen-3-ylphenyl)benzenesulfonamide Openeye Name: 3-(cyanomethyl)-2-pyrazol-1-yl-5-[4-(3-thienyl)phenyl]benzenesulfonamide CAS Name: 3-(cyanomethyl)-2-(1-pyrazolyl)-5-[4-(3-thiophenyl)phenyl]benzenesulfonamide IUPAC Name: 3-(cyanomethyl)-2-pyrazol-1-yl-5-(4-thiophen-3-ylphenyl)benzenesulfonamide Traditional Name: 3-(cyanomethyl)-2-pyrazol-1-yl-5-[4-(3-thienyl)phenyl]benzenesulfonamide Formula: C21H16N4O2S2 MolecularWeight: 420.50734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=C(C=C(C=C2S(=O)(=O)N)C3=CC=C(C=C3)C4=CSC=C4)CC#N

Isomeric SMILES

C1=CN(N=C1)C2=C(C=C(C=C2S(=O)(=O)N)C3=CC=C(C=C3)C4=CSC=C4)CC#N

InChI

InChI=1S/C21H16N4O2S2/c22-8-6-17-12-19(16-4-2-15(3-5-16)18-7-11-28-14-18)13-20(29(23,26)27)21(17)25-10-1-9-24-25/h1-5,7,9-14H,6H2,(H2,23,26,27)