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

Systemtic Name: tert-butyl 4-[2-[(4-chlorophenyl)methylsulfanyl]ethylcarbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(4-chlorophenyl)methylsulfanyl]ethylcarbamoyl]piperidine-1-carboxylate CAS Name: 4-[[2-[(4-chlorophenyl)methylthio]ethylamino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(4-chlorophenyl)methylsulfanyl]ethylcarbamoyl]piperidine-1-carboxylate Traditional Name: 4-[2-[(4-chlorobenzyl)thio]ethylcarbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H29ClN2O3S MolecularWeight: 412.97386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCCSCC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCCSCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H29ClN2O3S/c1-20(2,3)26-19(25)23-11-8-16(9-12-23)18(24)22-10-13-27-14-15-4-6-17(21)7-5-15/h4-7,16H,8-14H2,1-3H3,(H,22,24)