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

Systemtic Name: 2-[[(4-butoxyphenyl)sulfonyl-methyl-amino]methyl]-5-methyl-2-piperidin-1-ylcarbonyl-hexanoic acid Openeye Name: 2-[[(4-butoxyphenyl)sulfonyl-methyl-amino]methyl]-5-methyl-2-(piperidine-1-carbonyl)hexanoic acid CAS Name: 2-[[(4-butoxyphenyl)sulfonyl-methylamino]methyl]-5-methyl-2-[oxo(1-piperidinyl)methyl]hexanoic acid IUPAC Name: 2-[[(4-butoxyphenyl)sulfonyl-methylamino]methyl]-5-methyl-2-(piperidine-1-carbonyl)hexanoic acid Traditional Name: 2-[[(4-butoxyphenyl)sulfonyl-methyl-amino]methyl]-5-methyl-2-(piperidine-1-carbonyl)hexanoic acid Formula: C25H40N2O6S MolecularWeight: 496.6599

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N(C)CC(CCC(C)C)(C(=O)N2CCCCC2)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N(C)CC(CCC(C)C)(C(=O)N2CCCCC2)C(=O)O

InChI

InChI=1S/C25H40N2O6S/c1-5-6-18-33-21-10-12-22(13-11-21)34(31,32)26(4)19-25(24(29)30,15-14-20(2)3)23(28)27-16-8-7-9-17-27/h10-13,20H,5-9,14-19H2,1-4H3,(H,29,30)