2-[(3,4-dimethoxyphenyl)-methylsulfonyl-amino]-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]ethanamide

Systemtic Name: 2-[(3,4-dimethoxyphenyl)-methylsulfonyl-amino]-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]ethanamide Openeye Name: 2-(3,4-dimethoxy-N-methylsulfonyl-anilino)-N-[3-(m-tolylmethylsulfanyl)propyl]acetamide CAS Name: 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[3-[(3-methylphenyl)methylthio]propyl]acetamide IUPAC Name: 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]acetamide Traditional Name: 2-(N-mesyl-3,4-dimethoxy-anilino)-N-[3-[(3-methylbenzyl)thio]propyl]acetamide Formula: C22H30N2O5S2 MolecularWeight: 466.614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCCCNC(=O)CN(C2=CC(=C(C=C2)OC)OC)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CSCCCNC(=O)CN(C2=CC(=C(C=C2)OC)OC)S(=O)(=O)C

InChI

InChI=1S/C22H30N2O5S2/c1-17-7-5-8-18(13-17)16-30-12-6-11-23-22(25)15-24(31(4,26)27)19-9-10-20(28-2)21(14-19)29-3/h5,7-10,13-14H,6,11-12,15-16H2,1-4H3,(H,23,25)