N-[1-(4-methylsulfonylphenyl)ethyl]-4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide

Systemtic Name: N-[1-(4-methylsulfonylphenyl)ethyl]-4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide Openeye Name: N-[1-(4-methylsulfonylphenyl)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide CAS Name: N-[1-(4-methylsulfonylphenyl)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide IUPAC Name: N-[1-(4-methylsulfonylphenyl)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide Traditional Name: 4-keto-N-[1-(4-mesylphenyl)ethyl]-4-(3-phenyl-2-pyrazolin-1-yl)butyramide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)CCC(=O)N2CCC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)CCC(=O)N2CCC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O4S/c1-16(17-8-10-19(11-9-17)30(2,28)29)23-21(26)12-13-22(27)25-15-14-20(24-25)18-6-4-3-5-7-18/h3-11,16H,12-15H2,1-2H3,(H,23,26)