N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-N-methyl-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-4-methylsulfonyl-2-nitroaniline Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-(4-mesyl-2-nitro-phenyl)-methyl-amine Formula: C20H22N4O4S MolecularWeight: 414.47808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4S/c1-14-18(15(2)23(21-14)16-8-6-5-7-9-16)13-22(3)19-11-10-17(29(4,27)28)12-20(19)24(25)26/h5-12H,13H2,1-4H3