N-(2-tert-butylsulfanylethyl)-2-[(3-chlorophenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-(2-tert-butylsulfanylethyl)-2-[(3-chlorophenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-(2-tert-butylsulfanylethyl)-2-(3-chloro-N-methylsulfonyl-anilino)butanamide CAS Name: N-[2-(tert-butylthio)ethyl]-2-(3-chloro-N-methylsulfonylanilino)butanamide IUPAC Name: N-(2-tert-butylsulfanylethyl)-2-(3-chloro-N-methylsulfonylanilino)butanamide Traditional Name: N-[2-(tert-butylthio)ethyl]-2-(3-chloro-N-mesyl-anilino)butyramide Formula: C17H27ClN2O3S2 MolecularWeight: 406.99088

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCSC(C)(C)C)N(C1=CC(=CC=C1)Cl)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NCCSC(C)(C)C)N(C1=CC(=CC=C1)Cl)S(=O)(=O)C

InChI

InChI=1S/C17H27ClN2O3S2/c1-6-15(16(21)19-10-11-24-17(2,3)4)20(25(5,22)23)14-9-7-8-13(18)12-14/h7-9,12,15H,6,10-11H2,1-5H3,(H,19,21)