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

Systemtic Name: (2S)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[(4-methylphenyl)-methylsulfonyl-amino]propanamide Openeye Name: (2S)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-(4-methyl-N-methylsulfonyl-anilino)propanamide CAS Name: (2S)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide IUPAC Name: (2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methyl-N-methylsulfonylanilino)propanamide Traditional Name: (2S)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-(N-mesyl-4-methyl-anilino)propionamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C(C)C(=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([C@@H](C)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)S(=O)(=O)C

InChI

InChI=1S/C22H26N4O4S/c1-15-11-13-19(14-12-15)26(31(5,29)30)17(3)21(27)23-20-16(2)24(4)25(22(20)28)18-9-7-6-8-10-18/h6-14,17H,1-5H3,(H,23,27)/t17-/m0/s1