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

Systemtic Name: 4-(hydroxymethyl)-3-(4-methylphenyl)-6-phenethyl-2-(1H-pyrazol-5-yl)benzenesulfonamide Openeye Name: 4-(hydroxymethyl)-6-phenethyl-3-(p-tolyl)-2-(1H-pyrazol-5-yl)benzenesulfonamide CAS Name: 4-(hydroxymethyl)-3-(4-methylphenyl)-6-phenethyl-2-(1H-pyrazol-5-yl)benzenesulfonamide IUPAC Name: 4-(hydroxymethyl)-3-(4-methylphenyl)-6-phenethyl-2-(1H-pyrazol-5-yl)benzenesulfonamide Traditional Name: 4-methylol-6-phenethyl-3-(p-tolyl)-2-(1H-pyrazol-5-yl)benzenesulfonamide Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=C(C=C2CO)CCC3=CC=CC=C3)S(=O)(=O)N)C4=CC=NN4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=C(C=C2CO)CCC3=CC=CC=C3)S(=O)(=O)N)C4=CC=NN4

InChI

InChI=1S/C25H25N3O3S/c1-17-7-10-19(11-8-17)23-21(16-29)15-20(12-9-18-5-3-2-4-6-18)25(32(26,30)31)24(23)22-13-14-27-28-22/h2-8,10-11,13-15,29H,9,12,16H2,1H3,(H,27,28)(H2,26,30,31)