1-(3-chlorophenyl)-5-methyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]pyrazole-4-carboxamide

Systemtic Name: 1-(3-chlorophenyl)-5-methyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]pyrazole-4-carboxamide Openeye Name: 1-(3-chlorophenyl)-5-methyl-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]pyrazole-4-carboxamide CAS Name: 1-(3-chlorophenyl)-5-methyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-4-pyrazolecarboxamide IUPAC Name: 1-(3-chlorophenyl)-5-methyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]pyrazole-4-carboxamide Traditional Name: 1-(3-chlorophenyl)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]-5-methyl-pyrazole-4-carboxamide Formula: C20H20ClN5O5S MolecularWeight: 477.9213

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN5O5S/c1-13-17(12-24-25(13)15-5-3-4-14(21)10-15)20(27)23-9-8-22-18-7-6-16(32(2,30)31)11-19(18)26(28)29/h3-7,10-12,22H,8-9H2,1-2H3,(H,23,27)