3-(hydroxymethyl)-2-pyrazol-1-yl-5-(4-thiophen-3-ylphenyl)benzenesulfonamide

Systemtic Name: 3-(hydroxymethyl)-2-pyrazol-1-yl-5-(4-thiophen-3-ylphenyl)benzenesulfonamide Openeye Name: 3-(hydroxymethyl)-2-pyrazol-1-yl-5-[4-(3-thienyl)phenyl]benzenesulfonamide CAS Name: 3-(hydroxymethyl)-2-(1-pyrazolyl)-5-[4-(3-thiophenyl)phenyl]benzenesulfonamide IUPAC Name: 3-(hydroxymethyl)-2-pyrazol-1-yl-5-(4-thiophen-3-ylphenyl)benzenesulfonamide Traditional Name: 3-methylol-2-pyrazol-1-yl-5-[4-(3-thienyl)phenyl]benzenesulfonamide Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=C(C=C(C=C2S(=O)(=O)N)C3=CC=C(C=C3)C4=CSC=C4)CO

Isomeric SMILES

C1=CN(N=C1)C2=C(C=C(C=C2S(=O)(=O)N)C3=CC=C(C=C3)C4=CSC=C4)CO

InChI

InChI=1S/C20H17N3O3S2/c21-28(25,26)19-11-17(10-18(12-24)20(19)23-8-1-7-22-23)15-4-2-14(3-5-15)16-6-9-27-13-16/h1-11,13,24H,12H2,(H2,21,25,26)