N,2-dimethyl-5-nitro-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]benzenesulfonamide

Systemtic Name: N,2-dimethyl-5-nitro-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]benzenesulfonamide Openeye Name: N-[(1-benzylpyrazol-4-yl)methyl]-N,2-dimethyl-5-nitro-benzenesulfonamide CAS Name: N,2-dimethyl-5-nitro-N-[[1-(phenylmethyl)-4-pyrazolyl]methyl]benzenesulfonamide IUPAC Name: N-[(1-benzylpyrazol-4-yl)methyl]-N,2-dimethyl-5-nitrobenzenesulfonamide Traditional Name: N-[(1-benzylpyrazol-4-yl)methyl]-N,2-dimethyl-5-nitro-benzenesulfonamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N(C)CC2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N(C)CC2=CN(N=C2)CC3=CC=CC=C3

InChI

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