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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC(=CC=C2)CNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1CC2=CC(=CC=C2)CNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H22N4O4S/c1-14-9-15(2)23(22-14)13-17-6-4-5-16(10-17)12-21-19-8-7-18(29(3,27)28)11-20(19)24(25)26/h4-11,21H,12-13H2,1-3H3