N-(3-cyclohexylsulfanylpropyl)-2-[(3,4-dimethoxyphenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-(3-cyclohexylsulfanylpropyl)-2-[(3,4-dimethoxyphenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-(3-cyclohexylsulfanylpropyl)-2-(3,4-dimethoxy-N-methylsulfonyl-anilino)acetamide CAS Name: N-[3-(cyclohexylthio)propyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide IUPAC Name: N-(3-cyclohexylsulfanylpropyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide Traditional Name: N-[3-(cyclohexylthio)propyl]-2-(N-mesyl-3,4-dimethoxy-anilino)acetamide Formula: C20H32N2O5S2 MolecularWeight: 444.60848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CC(=O)NCCCSC2CCCCC2)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N(CC(=O)NCCCSC2CCCCC2)S(=O)(=O)C)OC

InChI

InChI=1S/C20H32N2O5S2/c1-26-18-11-10-16(14-19(18)27-2)22(29(3,24)25)15-20(23)21-12-7-13-28-17-8-5-4-6-9-17/h10-11,14,17H,4-9,12-13,15H2,1-3H3,(H,21,23)