6-(4-chlorophenyl)-2-[(methylsulfonylmethylamino)methyl]-3-piperidin-1-ylcarbonyl-hexanoic acid

Systemtic Name: 6-(4-chlorophenyl)-2-[(methylsulfonylmethylamino)methyl]-3-piperidin-1-ylcarbonyl-hexanoic acid Openeye Name: 6-(4-chlorophenyl)-2-[(methylsulfonylmethylamino)methyl]-3-(piperidine-1-carbonyl)hexanoic acid CAS Name: 6-(4-chlorophenyl)-2-[(methylsulfonylmethylamino)methyl]-3-[oxo(1-piperidinyl)methyl]hexanoic acid IUPAC Name: 6-(4-chlorophenyl)-2-[(methylsulfonylmethylamino)methyl]-3-(piperidine-1-carbonyl)hexanoic acid Traditional Name: 6-(4-chlorophenyl)-2-[(mesylmethylamino)methyl]-3-(piperidine-1-carbonyl)hexanoic acid Formula: C21H31ClN2O5S MolecularWeight: 458.99924

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CNCC(C(CCCC1=CC=C(C=C1)Cl)C(=O)N2CCCCC2)C(=O)O

Isomeric SMILES

CS(=O)(=O)CNCC(C(CCCC1=CC=C(C=C1)Cl)C(=O)N2CCCCC2)C(=O)O

InChI

InChI=1S/C21H31ClN2O5S/c1-30(28,29)15-23-14-19(21(26)27)18(20(25)24-12-3-2-4-13-24)7-5-6-16-8-10-17(22)11-9-16/h8-11,18-19,23H,2-7,12-15H2,1H3,(H,26,27)