4-[5-(4-ethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide; N-methylmethanamine

Systemtic Name: 4-[5-(4-ethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide; N-methylmethanamine Openeye Name: 4-[5-(4-ethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide; N-methylmethanamine CAS Name: 4-[5-(4-ethylphenyl)-3-(trifluoromethyl)-1-pyrazolyl]benzenesulfonamide; N-methylmethanamine IUPAC Name: 4-[5-(4-ethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide; N-methylmethanamine Traditional Name: dimethylamine; 4-[5-(4-ethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Formula: C20H23F3N4O2S MolecularWeight: 440.48243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F.CNC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F.CNC

InChI

InChI=1S/C18H16F3N3O2S.C2H7N/c1-2-12-3-5-13(6-4-12)16-11-17(18(19,20)21)23-24(16)14-7-9-15(10-8-14)27(22,25)26;1-3-2/h3-11H,2H2,1H3,(H2,22,25,26);3H,1-2H3