N,2,3-trimethyl-5-nitro-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]benzenesulfonamide

Systemtic Name: N,2,3-trimethyl-5-nitro-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]benzenesulfonamide Openeye Name: N-[(1-benzylpyrazol-4-yl)methyl]-N,2,3-trimethyl-5-nitro-benzenesulfonamide CAS Name: N,2,3-trimethyl-5-nitro-N-[[1-(phenylmethyl)-4-pyrazolyl]methyl]benzenesulfonamide IUPAC Name: N-[(1-benzylpyrazol-4-yl)methyl]-N,2,3-trimethyl-5-nitrobenzenesulfonamide Traditional Name: N-[(1-benzylpyrazol-4-yl)methyl]-N,2,3-trimethyl-5-nitro-benzenesulfonamide Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)N(C)CC2=CN(N=C2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N(C)CC2=CN(N=C2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

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