4-cyano-3-(4-methylphenyl)-6-phenethyl-2-(1H-pyrazol-5-yl)benzenesulfonamide

Systemtic Name: 4-cyano-3-(4-methylphenyl)-6-phenethyl-2-(1H-pyrazol-5-yl)benzenesulfonamide Openeye Name: 4-cyano-6-phenethyl-3-(p-tolyl)-2-(1H-pyrazol-5-yl)benzenesulfonamide CAS Name: 4-cyano-3-(4-methylphenyl)-6-phenethyl-2-(1H-pyrazol-5-yl)benzenesulfonamide IUPAC Name: 4-cyano-3-(4-methylphenyl)-6-phenethyl-2-(1H-pyrazol-5-yl)benzenesulfonamide Traditional Name: 4-cyano-6-phenethyl-3-(p-tolyl)-2-(1H-pyrazol-5-yl)benzenesulfonamide Formula: C25H22N4O2S MolecularWeight: 442.53278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=C(C=C2C#N)CCC3=CC=CC=C3)S(=O)(=O)N)C4=CC=NN4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=C(C=C2C#N)CCC3=CC=CC=C3)S(=O)(=O)N)C4=CC=NN4

InChI

InChI=1S/C25H22N4O2S/c1-17-7-10-19(11-8-17)23-21(16-26)15-20(12-9-18-5-3-2-4-6-18)25(32(27,30)31)24(23)22-13-14-28-29-22/h2-8,10-11,13-15H,9,12H2,1H3,(H,28,29)(H2,27,30,31)