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

Systemtic Name: 2-[[(2,5-dimethoxyphenyl)sulfonyl-methyl-amino]methyl]-5-methyl-2-piperidin-1-ylcarbonyl-hexanoic acid Openeye Name: 2-[[(2,5-dimethoxyphenyl)sulfonyl-methyl-amino]methyl]-5-methyl-2-(piperidine-1-carbonyl)hexanoic acid CAS Name: 2-[[(2,5-dimethoxyphenyl)sulfonyl-methylamino]methyl]-5-methyl-2-[oxo(1-piperidinyl)methyl]hexanoic acid IUPAC Name: 2-[[(2,5-dimethoxyphenyl)sulfonyl-methylamino]methyl]-5-methyl-2-(piperidine-1-carbonyl)hexanoic acid Traditional Name: 2-[[(2,5-dimethoxyphenyl)sulfonyl-methyl-amino]methyl]-5-methyl-2-(piperidine-1-carbonyl)hexanoic acid Formula: C23H36N2O7S MolecularWeight: 484.60614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36N2O7S/c1-17(2)11-12-23(22(27)28,21(26)25-13-7-6-8-14-25)16-24(3)33(29,30)20-15-18(31-4)9-10-19(20)32-5/h9-10,15,17H,6-8,11-14,16H2,1-5H3,(H,27,28)