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

Systemtic Name: N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methoxy-4-nitro-benzenesulfonamide Openeye Name: N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methoxy-4-nitro-benzenesulfonamide CAS Name: N-[[3-[(3,5-dimethyl-1-pyrazolyl)methyl]phenyl]methyl]-2-methoxy-4-nitrobenzenesulfonamide IUPAC Name: N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methoxy-4-nitrobenzenesulfonamide Traditional Name: N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzyl]-2-methoxy-4-nitro-benzenesulfonamide Formula: C20H22N4O5S MolecularWeight: 430.47748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC(=CC=C2)CNS(=O)(=O)C3=C(C=C(C=C3)[N+](=O)[O-])OC)C

Isomeric SMILES

CC1=CC(=NN1CC2=CC(=CC=C2)CNS(=O)(=O)C3=C(C=C(C=C3)[N+](=O)[O-])OC)C

InChI

InChI=1S/C20H22N4O5S/c1-14-9-15(2)23(22-14)13-17-6-4-5-16(10-17)12-21-30(27,28)20-8-7-18(24(25)26)11-19(20)29-3/h4-11,21H,12-13H2,1-3H3