3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]propanamide

Systemtic Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]propanamide Openeye Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]propanamide CAS Name: 3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide IUPAC Name: 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide Traditional Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]propionamide Formula: C23H27N5O5S MolecularWeight: 485.55598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O5S/c1-16-20(17(2)27(26-16)18-7-5-4-6-8-18)10-12-23(29)25-14-13-24-21-11-9-19(34(3,32)33)15-22(21)28(30)31/h4-9,11,15,24H,10,12-14H2,1-3H3,(H,25,29)