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

Systemtic Name: N-methyl-2-nitro-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]benzenesulfonamide Openeye Name: N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-nitro-benzenesulfonamide CAS Name: N-methyl-2-nitro-N-[[1-(phenylmethyl)-4-pyrazolyl]methyl]benzenesulfonamide IUPAC Name: N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-nitrobenzenesulfonamide Traditional Name: N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-nitro-benzenesulfonamide Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O4S/c1-20(27(25,26)18-10-6-5-9-17(18)22(23)24)12-16-11-19-21(14-16)13-15-7-3-2-4-8-15/h2-11,14H,12-13H2,1H3