4-[5-(4-methylphenyl)-3-(3-oxidanylpropoxymethyl)pyrazol-3-yl]benzenesulfonamide

Systemtic Name: 4-[5-(4-methylphenyl)-3-(3-oxidanylpropoxymethyl)pyrazol-3-yl]benzenesulfonamide Openeye Name: 4-[3-(3-hydroxypropoxymethyl)-5-(p-tolyl)pyrazol-3-yl]benzenesulfonamide CAS Name: 4-[3-(3-hydroxypropoxymethyl)-5-(4-methylphenyl)-3-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[3-(3-hydroxypropoxymethyl)-5-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide Traditional Name: 4-[3-(3-hydroxypropoxymethyl)-5-(p-tolyl)pyrazol-3-yl]benzenesulfonamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(N=N2)(COCCCO)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(N=N2)(COCCCO)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C20H23N3O4S/c1-15-3-5-16(6-4-15)19-13-20(23-22-19,14-27-12-2-11-24)17-7-9-18(10-8-17)28(21,25)26/h3-10,13,24H,2,11-12,14H2,1H3,(H2,21,25,26)