N-(2-tert-butylsulfanylethyl)-4-[(3-methylphenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-(2-tert-butylsulfanylethyl)-4-[(3-methylphenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-(2-tert-butylsulfanylethyl)-4-(3-methyl-N-methylsulfonyl-anilino)butanamide CAS Name: N-[2-(tert-butylthio)ethyl]-4-(3-methyl-N-methylsulfonylanilino)butanamide IUPAC Name: N-(2-tert-butylsulfanylethyl)-4-(3-methyl-N-methylsulfonylanilino)butanamide Traditional Name: N-[2-(tert-butylthio)ethyl]-4-(N-mesyl-3-methyl-anilino)butyramide Formula: C18H30N2O3S2 MolecularWeight: 386.5724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CCCC(=O)NCCSC(C)(C)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N(CCCC(=O)NCCSC(C)(C)C)S(=O)(=O)C

InChI

InChI=1S/C18H30N2O3S2/c1-15-8-6-9-16(14-15)20(25(5,22)23)12-7-10-17(21)19-11-13-24-18(2,3)4/h6,8-9,14H,7,10-13H2,1-5H3,(H,19,21)