tert-butyl 4-[2-(4-chlorophenyl)sulfanylethylcarbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(4-chlorophenyl)sulfanylethylcarbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(4-chlorophenyl)sulfanylethylcarbamoyl]piperidine-1-carboxylate CAS Name: 4-[[2-[(4-chlorophenyl)thio]ethylamino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-chlorophenyl)sulfanylethylcarbamoyl]piperidine-1-carboxylate Traditional Name: 4-[2-[(4-chlorophenyl)thio]ethylcarbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C19H27ClN2O3S MolecularWeight: 398.94728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H27ClN2O3S/c1-19(2,3)25-18(24)22-11-8-14(9-12-22)17(23)21-10-13-26-16-6-4-15(20)5-7-16/h4-7,14H,8-13H2,1-3H3,(H,21,23)