2-[[(4-methoxyphenyl)sulfonyl-methyl-amino]methyl]-5-methyl-2-piperidin-1-ylcarbonyl-hexanoic acid

Systemtic Name: 2-[[(4-methoxyphenyl)sulfonyl-methyl-amino]methyl]-5-methyl-2-piperidin-1-ylcarbonyl-hexanoic acid Openeye Name: 2-[[(4-methoxyphenyl)sulfonyl-methyl-amino]methyl]-5-methyl-2-(piperidine-1-carbonyl)hexanoic acid CAS Name: 2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-5-methyl-2-[oxo(1-piperidinyl)methyl]hexanoic acid IUPAC Name: 2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-5-methyl-2-(piperidine-1-carbonyl)hexanoic acid Traditional Name: 2-[[(4-methoxyphenyl)sulfonyl-methyl-amino]methyl]-5-methyl-2-(piperidine-1-carbonyl)hexanoic acid Formula: C22H34N2O6S MolecularWeight: 454.58016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N2O6S/c1-17(2)12-13-22(21(26)27,20(25)24-14-6-5-7-15-24)16-23(3)31(28,29)19-10-8-18(30-4)9-11-19/h8-11,17H,5-7,12-16H2,1-4H3,(H,26,27)