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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-(N-methylsulfonyl-3-nitro-anilino)acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-(N-mesyl-3-nitro-anilino)acetamide Formula: C20H21N5O6S MolecularWeight: 459.47564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN(C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN(C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C20H21N5O6S/c1-14-19(20(27)24(22(14)2)15-8-5-4-6-9-15)21-18(26)13-23(32(3,30)31)16-10-7-11-17(12-16)25(28)29/h4-12H,13H2,1-3H3,(H,21,26)