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

Systemtic Name: 1-aminocarbonyl-4-[2-(4-chlorophenyl)sulfanylphenyl]piperidine-4-carboxylic acid Openeye Name: 1-carbamoyl-4-[2-(4-chlorophenyl)sulfanylphenyl]piperidine-4-carboxylic acid CAS Name: 1-carbamoyl-4-[2-[(4-chlorophenyl)thio]phenyl]-4-piperidinecarboxylic acid IUPAC Name: 1-carbamoyl-4-[2-(4-chlorophenyl)sulfanylphenyl]piperidine-4-carboxylic acid Traditional Name: 1-carbamoyl-4-[2-[(4-chlorophenyl)thio]phenyl]isonipecotic acid Formula: C19H19ClN2O3S MolecularWeight: 390.88376

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2SC3=CC=C(C=C3)Cl)C(=O)O)C(=O)N

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2SC3=CC=C(C=C3)Cl)C(=O)O)C(=O)N

InChI

InChI=1S/C19H19ClN2O3S/c20-13-5-7-14(8-6-13)26-16-4-2-1-3-15(16)19(17(23)24)9-11-22(12-10-19)18(21)25/h1-8H,9-12H2,(H2,21,25)(H,23,24)