1-[2-(4-chlorophenyl)sulfanylpropanoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-(4-chlorophenyl)sulfanylpropanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(4-chlorophenyl)sulfanylpropanoyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[(4-chlorophenyl)thio]-1-oxopropyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(4-chlorophenyl)sulfanylpropanoyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[(4-chlorophenyl)thio]propanoyl]nipecotic acid Formula: C15H18ClNO3S MolecularWeight: 327.82632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC(C1)C(=O)O)SC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C(=O)N1CCCC(C1)C(=O)O)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H18ClNO3S/c1-10(21-13-6-4-12(16)5-7-13)14(18)17-8-2-3-11(9-17)15(19)20/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,20)