5-methyl-2-[[methyl-(phenylmethyl)sulfonyl-amino]methyl]-2-piperidin-1-ylcarbonyl-hexanoic acid

Systemtic Name: 5-methyl-2-[[methyl-(phenylmethyl)sulfonyl-amino]methyl]-2-piperidin-1-ylcarbonyl-hexanoic acid Openeye Name: 2-[[benzylsulfonyl(methyl)amino]methyl]-5-methyl-2-(piperidine-1-carbonyl)hexanoic acid CAS Name: 5-methyl-2-[[methyl-(phenylmethyl)sulfonylamino]methyl]-2-[oxo(1-piperidinyl)methyl]hexanoic acid IUPAC Name: 2-[[benzylsulfonyl(methyl)amino]methyl]-5-methyl-2-(piperidine-1-carbonyl)hexanoic acid Traditional Name: 2-[[benzylsulfonyl(methyl)amino]methyl]-5-methyl-2-(piperidine-1-carbonyl)hexanoic acid Formula: C22H34N2O5S MolecularWeight: 438.58076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CN(C)S(=O)(=O)CC1=CC=CC=C1)(C(=O)N2CCCCC2)C(=O)O

Isomeric SMILES

CC(C)CCC(CN(C)S(=O)(=O)CC1=CC=CC=C1)(C(=O)N2CCCCC2)C(=O)O

InChI

InChI=1S/C22H34N2O5S/c1-18(2)12-13-22(21(26)27,20(25)24-14-8-5-9-15-24)17-23(3)30(28,29)16-19-10-6-4-7-11-19/h4,6-7,10-11,18H,5,8-9,12-17H2,1-3H3,(H,26,27)