2-[[4-chloranyl-3-(trifluoromethyl)phenyl]-methylsulfonyl-amino]-N-(3-piperidin-1-ylpropyl)ethanamide

Systemtic Name: 2-[[4-chloranyl-3-(trifluoromethyl)phenyl]-methylsulfonyl-amino]-N-(3-piperidin-1-ylpropyl)ethanamide Openeye Name: 2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[3-(1-piperidyl)propyl]acetamide CAS Name: 2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[3-(1-piperidinyl)propyl]acetamide IUPAC Name: 2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(3-piperidin-1-ylpropyl)acetamide Traditional Name: 2-[4-chloro-N-mesyl-3-(trifluoromethyl)anilino]-N-(3-piperidinopropyl)acetamide Formula: C18H25ClF3N3O3S MolecularWeight: 455.92261

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCCN1CCCCC1)C2=CC(=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCCN1CCCCC1)C2=CC(=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C18H25ClF3N3O3S/c1-29(27,28)25(14-6-7-16(19)15(12-14)18(20,21)22)13-17(26)23-8-5-11-24-9-3-2-4-10-24/h6-7,12H,2-5,8-11,13H2,1H3,(H,23,26)