2-methoxy-5-[5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]aniline hydrochloride

Systemtic Name: 2-methoxy-5-[5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]aniline hydrochloride Openeye Name: 2-methoxy-5-[5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]aniline hydrochloride CAS Name: 2-methoxy-5-[5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1-pyrazolyl]aniline hydrochloride IUPAC Name: 2-methoxy-5-[5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]aniline hydrochloride Traditional Name: [5-[5-(4-mesylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-2-methoxy-phenyl]amine hydrochloride Formula: C18H17ClF3N3O3S MolecularWeight: 447.85909

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C)N.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C)N.Cl

InChI

InChI=1S/C18H16F3N3O3S.ClH/c1-27-16-8-5-12(9-14(16)22)24-15(10-17(23-24)18(19,20)21)11-3-6-13(7-4-11)28(2,25)26;/h3-10H,22H2,1-2H3;1H