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

Systemtic Name: 2-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[4-chloro-3-(1-piperidylsulfonyl)benzoyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[[4-chloro-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[(4-chloro-3-piperidin-1-ylsulfonylbenzoyl)amino]-3-hydroxybutanoic acid Traditional Name: 2-[(4-chloro-3-piperidinosulfonyl-benzoyl)amino]-3-hydroxy-butyric acid Formula: C16H21ClN2O6S MolecularWeight: 404.86574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN2O6S/c1-10(20)14(16(22)23)18-15(21)11-5-6-12(17)13(9-11)26(24,25)19-7-3-2-4-8-19/h5-6,9-10,14,20H,2-4,7-8H2,1H3,(H,18,21)(H,22,23)