N-methyl-4-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]aniline hydrochloride

Systemtic Name: N-methyl-4-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]aniline hydrochloride Openeye Name: N-methyl-4-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]aniline hydrochloride CAS Name: N-methyl-4-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]aniline hydrochloride IUPAC Name: N-methyl-4-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]aniline hydrochloride Traditional Name: [4-[3-(4-mesylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]-methyl-amine hydrochloride Formula: C18H17ClF3N3O2S MolecularWeight: 431.85969

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=C(C=C1)C2=C(NN=C2C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F.Cl

Isomeric SMILES

CNC1=CC=C(C=C1)C2=C(NN=C2C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F.Cl

InChI

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