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

Systemtic Name: 3,5-dimethyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-3,5-dimethyl-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]pyrazole-4-carboxamide CAS Name: 3,5-dimethyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-3,5-dimethyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[2-(4-mesyl-2-nitro-anilino)ethyl]-3,5-dimethyl-pyrazole-4-carboxamide Formula: C22H25N5O5S MolecularWeight: 471.5294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O5S/c1-15-21(16(2)26(25-15)14-17-7-5-4-6-8-17)22(28)24-12-11-23-19-10-9-18(33(3,31)32)13-20(19)27(29)30/h4-10,13,23H,11-12,14H2,1-3H3,(H,24,28)