N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-[(4-methylphenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-[(4-methylphenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-(4-methyl-N-methylsulfonyl-anilino)butanamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(4-methyl-N-methylsulfonylanilino)butanamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-4-(N-mesyl-4-methyl-anilino)butyramide Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N(CCCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)S(=O)(=O)C

InChI

InChI=1S/C23H28N4O4S/c1-17-12-14-19(15-13-17)26(32(4,30)31)16-8-11-21(28)24-22-18(2)25(3)27(23(22)29)20-9-6-5-7-10-20/h5-7,9-10,12-15H,8,11,16H2,1-4H3,(H,24,28)