(3S)-1-(3-chloranyl-2-methyl-phenyl)sulfonylpiperidine-3-carboxylic acid

Systemtic Name: (3S)-1-(3-chloranyl-2-methyl-phenyl)sulfonylpiperidine-3-carboxylic acid Openeye Name: (3S)-1-(3-chloro-2-methyl-phenyl)sulfonylpiperidine-3-carboxylic acid CAS Name: (3S)-1-(3-chloro-2-methylphenyl)sulfonyl-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidine-3-carboxylic acid Traditional Name: (3S)-1-(3-chloro-2-methyl-phenyl)sulfonylnipecotic acid Formula: C13H16ClNO4S MolecularWeight: 317.78844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)S(=O)(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1Cl)S(=O)(=O)N2CCC[C@@H](C2)C(=O)O

InChI

InChI=1S/C13H16ClNO4S/c1-9-11(14)5-2-6-12(9)20(18,19)15-7-3-4-10(8-15)13(16)17/h2,5-6,10H,3-4,7-8H2,1H3,(H,16,17)/t10-/m0/s1