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

Systemtic Name: 2-[[(4-chlorophenyl)sulfonyl-methyl-amino]methyl]-5-methyl-2-piperidin-1-ylcarbonyl-hexanoic acid Openeye Name: 2-[[(4-chlorophenyl)sulfonyl-methyl-amino]methyl]-5-methyl-2-(piperidine-1-carbonyl)hexanoic acid CAS Name: 2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-methyl-2-[oxo(1-piperidinyl)methyl]hexanoic acid IUPAC Name: 2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-methyl-2-(piperidine-1-carbonyl)hexanoic acid Traditional Name: 2-[[(4-chlorophenyl)sulfonyl-methyl-amino]methyl]-5-methyl-2-(piperidine-1-carbonyl)hexanoic acid Formula: C21H31ClN2O5S MolecularWeight: 458.99924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31ClN2O5S/c1-16(2)11-12-21(20(26)27,19(25)24-13-5-4-6-14-24)15-23(3)30(28,29)18-9-7-17(22)8-10-18/h7-10,16H,4-6,11-15H2,1-3H3,(H,26,27)