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

Systemtic Name: 1,3,5-trimethyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]pyrazole-4-carboxamide Openeye Name: 1,3,5-trimethyl-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]pyrazole-4-carboxamide CAS Name: 1,3,5-trimethyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-4-pyrazolecarboxamide IUPAC Name: 1,3,5-trimethyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]pyrazole-4-carboxamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-1,3,5-trimethyl-pyrazole-4-carboxamide Formula: C16H21N5O5S MolecularWeight: 395.43344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O5S/c1-10-15(11(2)20(3)19-10)16(22)18-8-7-17-13-6-5-12(27(4,25)26)9-14(13)21(23)24/h5-6,9,17H,7-8H2,1-4H3,(H,18,22)