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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCNC(=O)C1CCCN(C1)S(=O)(=O)CC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CC(C)(C)SCCNC(=O)C1CCCN(C1)S(=O)(=O)CC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C19H28Cl2N2O3S2/c1-19(2,3)27-10-8-22-18(24)15-5-4-9-23(12-15)28(25,26)13-14-6-7-16(20)17(21)11-14/h6-7,11,15H,4-5,8-10,12-13H2,1-3H3,(H,22,24)