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

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

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C.Cl

Isomeric SMILES

CNC1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C.Cl

InChI

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