N-(2-tert-butylsulfanylethyl)-1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-(2-tert-butylsulfanylethyl)-1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-(2-tert-butylsulfanylethyl)-1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: N-[2-(tert-butylthio)ethyl]-1-[(3,4-dichlorophenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(2-tert-butylsulfanylethyl)-1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[2-(tert-butylthio)ethyl]-1-(3,4-dichlorobenzyl)sulfonyl-isonipecotamide Formula: C19H28Cl2N2O3S2 MolecularWeight: 467.47322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCNC(=O)C1CCN(CC1)S(=O)(=O)CC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CC(C)(C)SCCNC(=O)C1CCN(CC1)S(=O)(=O)CC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C19H28Cl2N2O3S2/c1-19(2,3)27-11-8-22-18(24)15-6-9-23(10-7-15)28(25,26)13-14-4-5-16(20)17(21)12-14/h4-5,12,15H,6-11,13H2,1-3H3,(H,22,24)