2-[(3-chloranyl-4-methyl-phenyl)-methylsulfonyl-amino]-N-(2-cyclohexylsulfanylethyl)ethanamide

Systemtic Name: 2-[(3-chloranyl-4-methyl-phenyl)-methylsulfonyl-amino]-N-(2-cyclohexylsulfanylethyl)ethanamide Openeye Name: 2-(3-chloro-4-methyl-N-methylsulfonyl-anilino)-N-(2-cyclohexylsulfanylethyl)acetamide CAS Name: 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[2-(cyclohexylthio)ethyl]acetamide IUPAC Name: 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-cyclohexylsulfanylethyl)acetamide Traditional Name: 2-(3-chloro-N-mesyl-4-methyl-anilino)-N-[2-(cyclohexylthio)ethyl]acetamide Formula: C18H27ClN2O3S2 MolecularWeight: 419.00158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CC(=O)NCCSC2CCCCC2)S(=O)(=O)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N(CC(=O)NCCSC2CCCCC2)S(=O)(=O)C)Cl

InChI

InChI=1S/C18H27ClN2O3S2/c1-14-8-9-15(12-17(14)19)21(26(2,23)24)13-18(22)20-10-11-25-16-6-4-3-5-7-16/h8-9,12,16H,3-7,10-11,13H2,1-2H3,(H,20,22)