(2R)-2-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2R)-2-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2R)-2-[[4-chloro-3-(1-piperidylsulfonyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2R)-2-[[[4-chloro-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2R)-2-[(4-chloro-3-piperidin-1-ylsulfonylbenzoyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: (2R)-2-[(4-chloro-3-piperidinosulfonyl-benzoyl)amino]-4-(methylthio)butyric acid Formula: C17H23ClN2O5S2 MolecularWeight: 434.95792

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CSCC[C@H](C(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C17H23ClN2O5S2/c1-26-10-7-14(17(22)23)19-16(21)12-5-6-13(18)15(11-12)27(24,25)20-8-3-2-4-9-20/h5-6,11,14H,2-4,7-10H2,1H3,(H,19,21)(H,22,23)/t14-/m1/s1