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

Systemtic Name: 1-tert-butyl-5-methyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]pyrazole-4-carboxamide Openeye Name: 1-tert-butyl-5-methyl-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]pyrazole-4-carboxamide CAS Name: 1-tert-butyl-5-methyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-4-pyrazolecarboxamide IUPAC Name: 1-tert-butyl-5-methyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]pyrazole-4-carboxamide Traditional Name: 1-tert-butyl-N-[2-(4-mesyl-2-nitro-anilino)ethyl]-5-methyl-pyrazole-4-carboxamide Formula: C18H25N5O5S MolecularWeight: 423.4866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C(C)(C)C)C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=NN1C(C)(C)C)C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H25N5O5S/c1-12-14(11-21-22(12)18(2,3)4)17(24)20-9-8-19-15-7-6-13(29(5,27)28)10-16(15)23(25)26/h6-7,10-11,19H,8-9H2,1-5H3,(H,20,24)