4-butan-2-yl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzenesulfonamide

Systemtic Name: 4-butan-2-yl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzenesulfonamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-sec-butyl-benzenesulfonamide CAS Name: 4-butan-2-yl-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)benzenesulfonamide IUPAC Name: 4-butan-2-yl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenesulfonamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-4-sec-butyl-benzenesulfonamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C21H25N3O3S/c1-5-15(2)17-11-13-19(14-12-17)28(26,27)22-20-16(3)23(4)24(21(20)25)18-9-7-6-8-10-18/h6-15,22H,5H2,1-4H3