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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)C(=O)O)SC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C(=O)N1CCC(CC1)C(=O)O)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H18ClNO3S/c1-10(21-13-4-2-12(16)3-5-13)14(18)17-8-6-11(7-9-17)15(19)20/h2-5,10-11H,6-9H2,1H3,(H,19,20)