2-[[[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonyl-methyl-amino]methyl]-5-methyl-2-piperidin-1-ylcarbonyl-hexanoic acid

Systemtic Name: 2-[[[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonyl-methyl-amino]methyl]-5-methyl-2-piperidin-1-ylcarbonyl-hexanoic acid Openeye Name: 2-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methyl-amino]methyl]-5-methyl-2-(piperidine-1-carbonyl)hexanoic acid CAS Name: 2-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]methyl]-5-methyl-2-[oxo(1-piperidinyl)methyl]hexanoic acid IUPAC Name: 2-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]methyl]-5-methyl-2-(piperidine-1-carbonyl)hexanoic acid Traditional Name: 2-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methyl-amino]methyl]-5-methyl-2-(piperidine-1-carbonyl)hexanoic acid Formula: C22H30ClF3N2O5S MolecularWeight: 526.99721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)Cl)(C(=O)N2CCCCC2)C(=O)O

Isomeric SMILES

CC(C)CCC(CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)Cl)(C(=O)N2CCCCC2)C(=O)O

InChI

InChI=1S/C22H30ClF3N2O5S/c1-15(2)9-10-21(20(30)31,19(29)28-11-5-4-6-12-28)14-27(3)34(32,33)18-13-16(22(24,25)26)7-8-17(18)23/h7-8,13,15H,4-6,9-12,14H2,1-3H3,(H,30,31)