2-methyl-5-nitro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide

Systemtic Name: 2-methyl-5-nitro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide Openeye Name: 2-methyl-5-nitro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide CAS Name: 2-methyl-5-nitro-N-[[4-(1-pyrazolylmethyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 2-methyl-5-nitro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide Traditional Name: 2-methyl-5-nitro-N-[4-(pyrazol-1-ylmethyl)benzyl]benzenesulfonamide Formula: C18H18N4O4S MolecularWeight: 386.42492

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=CC=C(C=C2)CN3C=CC=N3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC2=CC=C(C=C2)CN3C=CC=N3

InChI

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