4-[[1-(2-hydroxyethyl)-3-(2-methylpropyl)pyrazol-4-yl]diazenyl]benzenesulfonamide

Systemtic Name: 4-[[1-(2-hydroxyethyl)-3-(2-methylpropyl)pyrazol-4-yl]diazenyl]benzenesulfonamide Openeye Name: 4-[1-(2-hydroxyethyl)-3-isobutyl-pyrazol-4-yl]azobenzenesulfonamide CAS Name: 4-[[1-(2-hydroxyethyl)-3-(2-methylpropyl)-4-pyrazolyl]azo]benzenesulfonamide IUPAC Name: 4-[[1-(2-hydroxyethyl)-3-(2-methylpropyl)pyrazol-4-yl]diazenyl]benzenesulfonamide Traditional Name: 4-[1-(2-hydroxyethyl)-3-isobutyl-pyrazol-4-yl]azobenzenesulfonamide Formula: C15H21N5O3S MolecularWeight: 351.42394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN(C=C1N=NC2=CC=C(C=C2)S(=O)(=O)N)CCO

Isomeric SMILES

CC(C)CC1=NN(C=C1N=NC2=CC=C(C=C2)S(=O)(=O)N)CCO

InChI

InChI=1S/C15H21N5O3S/c1-11(2)9-14-15(10-20(19-14)7-8-21)18-17-12-3-5-13(6-4-12)24(16,22)23/h3-6,10-11,21H,7-9H2,1-2H3,(H2,16,22,23)