N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-(phenylsulfonyl)cyclopropane-1-carboxamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-(phenylsulfonyl)cyclopropane-1-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)cyclopropanecarboxamide CAS Name: 1-(benzenesulfonyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1-cyclopropanecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)cyclopropane-1-carboxamide Traditional Name: 1-besyl-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)cyclopropanecarboxamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O4S/c1-15-18(19(25)24(23(15)2)16-9-5-3-6-10-16)22-20(26)21(13-14-21)29(27,28)17-11-7-4-8-12-17/h3-12H,13-14H2,1-2H3,(H,22,26)