1-[2-[(5-chloranyl-2-methoxy-phenyl)sulfonyl-methyl-amino]ethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[(5-chloranyl-2-methoxy-phenyl)sulfonyl-methyl-amino]ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[(5-chloro-2-methoxy-phenyl)sulfonyl-methyl-amino]acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(5-chloro-2-methoxy-phenyl)sulfonyl-methyl-amino]acetyl]isonipecotic acid Formula: C16H21ClN2O6S MolecularWeight: 404.86574

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CCC(CC1)C(=O)O)S(=O)(=O)C2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

CN(CC(=O)N1CCC(CC1)C(=O)O)S(=O)(=O)C2=C(C=CC(=C2)Cl)OC

InChI

InChI=1S/C16H21ClN2O6S/c1-18(10-15(20)19-7-5-11(6-8-19)16(21)22)26(23,24)14-9-12(17)3-4-13(14)25-2/h3-4,9,11H,5-8,10H2,1-2H3,(H,21,22)