4-[1-(cyanomethyl)-4-(4-methylphenyl)-5-(phenylmethoxymethyl)pyrazol-3-yl]benzenesulfonamide

Systemtic Name: 4-[1-(cyanomethyl)-4-(4-methylphenyl)-5-(phenylmethoxymethyl)pyrazol-3-yl]benzenesulfonamide Openeye Name: 4-[5-(benzyloxymethyl)-1-(cyanomethyl)-4-(p-tolyl)pyrazol-3-yl]benzenesulfonamide CAS Name: 4-[1-(cyanomethyl)-4-(4-methylphenyl)-5-(phenylmethoxymethyl)-3-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[1-(cyanomethyl)-4-(4-methylphenyl)-5-(phenylmethoxymethyl)pyrazol-3-yl]benzenesulfonamide Traditional Name: 4-[5-(benzoxymethyl)-1-(cyanomethyl)-4-(p-tolyl)pyrazol-3-yl]benzenesulfonamide Formula: C26H24N4O3S MolecularWeight: 472.55876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)N)CC#N)COCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)N)CC#N)COCC4=CC=CC=C4

InChI

InChI=1S/C26H24N4O3S/c1-19-7-9-21(10-8-19)25-24(18-33-17-20-5-3-2-4-6-20)30(16-15-27)29-26(25)22-11-13-23(14-12-22)34(28,31)32/h2-14H,16-18H2,1H3,(H2,28,31,32)