4-[[1-(4-chlorophenyl)carbonyl-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzenesulfonamide

Systemtic Name: 4-[[1-(4-chlorophenyl)carbonyl-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzenesulfonamide Openeye Name: 4-[[1-(4-chlorobenzoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzenesulfonamide CAS Name: 4-[[1-[(4-chlorophenyl)-oxomethyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzenesulfonamide IUPAC Name: 4-[[1-(4-chlorobenzoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzenesulfonamide Traditional Name: 4-[[1-(4-chlorobenzoyl)-5-keto-3-methyl-2-pyrazolin-4-yl]azo]benzenesulfonamide Formula: C17H14ClN5O4S MolecularWeight: 419.84216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)N)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)N)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H14ClN5O4S/c1-10-15(21-20-13-6-8-14(9-7-13)28(19,26)27)17(25)23(22-10)16(24)11-2-4-12(18)5-3-11/h2-9,15H,1H3,(H2,19,26,27)