(3S)-1-[(3S)-1-(3-chloranyl-2-methyl-phenyl)sulfonylpiperidin-3-yl]carbonylpiperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[(3S)-1-(3-chloranyl-2-methyl-phenyl)sulfonylpiperidin-3-yl]carbonylpiperidine-3-carboxylic acid Openeye Name: (3S)-1-[(3S)-1-(3-chloro-2-methyl-phenyl)sulfonylpiperidine-3-carbonyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[[(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-3-piperidinyl]-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidine-3-carbonyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[(3S)-1-(3-chloro-2-methyl-phenyl)sulfonylnipecotoyl]nipecotic acid Formula: C19H25ClN2O5S MolecularWeight: 428.9302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)S(=O)(=O)N2CCCC(C2)C(=O)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1Cl)S(=O)(=O)N2CCC[C@@H](C2)C(=O)N3CCC[C@@H](C3)C(=O)O

InChI

InChI=1S/C19H25ClN2O5S/c1-13-16(20)7-2-8-17(13)28(26,27)22-10-4-5-14(12-22)18(23)21-9-3-6-15(11-21)19(24)25/h2,7-8,14-15H,3-6,9-12H2,1H3,(H,24,25)/t14-,15-/m0/s1