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

Systemtic Name: 4-[3-(3-oxidanylpropoxymethyl)-5-phenyl-pyrazol-3-yl]benzenesulfonamide Openeye Name: 4-[3-(3-hydroxypropoxymethyl)-5-phenyl-pyrazol-3-yl]benzenesulfonamide CAS Name: 4-[3-(3-hydroxypropoxymethyl)-5-phenyl-3-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[3-(3-hydroxypropoxymethyl)-5-phenylpyrazol-3-yl]benzenesulfonamide Traditional Name: 4-[3-(3-hydroxypropoxymethyl)-5-phenyl-pyrazol-3-yl]benzenesulfonamide Formula: C19H21N3O4S MolecularWeight: 387.45274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S/c20-27(24,25)17-9-7-16(8-10-17)19(14-26-12-4-11-23)13-18(21-22-19)15-5-2-1-3-6-15/h1-3,5-10,13,23H,4,11-12,14H2,(H2,20,24,25)