N-methyl-4-methylsulfonyl-2-nitro-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]aniline

Systemtic Name: N-methyl-4-methylsulfonyl-2-nitro-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]aniline Openeye Name: N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-4-methylsulfonyl-2-nitro-aniline CAS Name: N-methyl-4-methylsulfonyl-2-nitro-N-[[1-(phenylmethyl)-4-pyrazolyl]methyl]aniline IUPAC Name: N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-4-methylsulfonyl-2-nitroaniline Traditional Name: (1-benzylpyrazol-4-yl)methyl-(4-mesyl-2-nitro-phenyl)-methyl-amine Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O4S/c1-21(18-9-8-17(28(2,26)27)10-19(18)23(24)25)12-16-11-20-22(14-16)13-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3