N-methyl-N-(3-methylbutyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidin-4-amine hydrochloride

Systemtic Name: N-methyl-N-(3-methylbutyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidin-4-amine hydrochloride Openeye Name: N-isopentyl-N-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidin-4-amine hydrochloride CAS Name: N-methyl-N-(3-methylbutyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinamine hydrochloride IUPAC Name: N-methyl-N-(3-methylbutyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine hydrochloride Traditional Name: isoamyl-methyl-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidyl]amine hydrochloride Formula: C18H28ClF3N2O2S MolecularWeight: 428.94033

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C)C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F.Cl

Isomeric SMILES

CC(C)CCN(C)C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F.Cl

InChI

InChI=1S/C18H27F3N2O2S.ClH/c1-14(2)7-10-22(3)16-8-11-23(12-9-16)26(24,25)17-6-4-5-15(13-17)18(19,20)21;/h4-6,13-14,16H,7-12H2,1-3H3;1H