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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC2=C(N(N=C2C)C3=CC=CC=C3C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC2=C(N(N=C2C)C3=CC=CC=C3C)C

InChI

InChI=1S/C20H22N4O4S/c1-13-7-5-6-8-19(13)23-16(4)18(15(3)22-23)12-21-29(27,28)20-11-17(24(25)26)10-9-14(20)2/h5-11,21H,12H2,1-4H3