2-[1-(tert-butylcarbamoyl)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl methanesulfonate

Systemtic Name: 2-[1-(tert-butylcarbamoyl)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl methanesulfonate Openeye Name: 2-[1-(tert-butylcarbamoyl)-3-(3,4-dichlorophenyl)-3-piperidyl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[1-[(tert-butylamino)-oxomethyl]-3-(3,4-dichlorophenyl)-3-piperidinyl]ethyl ester IUPAC Name: 2-[1-(tert-butylcarbamoyl)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[1-(tert-butylcarbamoyl)-3-(3,4-dichlorophenyl)-3-piperidyl]ethyl ester Formula: C19H28Cl2N2O4S MolecularWeight: 451.40762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N1CCCC(C1)(CCOS(=O)(=O)C)C2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CC(C)(C)NC(=O)N1CCCC(C1)(CCOS(=O)(=O)C)C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C19H28Cl2N2O4S/c1-18(2,3)22-17(24)23-10-5-8-19(13-23,9-11-27-28(4,25)26)14-6-7-15(20)16(21)12-14/h6-7,12H,5,8-11,13H2,1-4H3,(H,22,24)