N-[2-(4-methylphenyl)sulfanylethyl]-2-[methylsulfonyl-(4-morpholin-4-ylsulfonylphenyl)amino]ethanamide

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-2-[methylsulfonyl-(4-morpholin-4-ylsulfonylphenyl)amino]ethanamide Openeye Name: 2-(N-methylsulfonyl-4-morpholinosulfonyl-anilino)-N-[2-(p-tolylsulfanyl)ethyl]acetamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-2-[N-methylsulfonyl-4-(4-morpholinylsulfonyl)anilino]acetamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide Traditional Name: 2-(N-mesyl-4-morpholinosulfonyl-anilino)-N-[2-(p-tolylthio)ethyl]acetamide Formula: C22H29N3O6S3 MolecularWeight: 527.67716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)CN(C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)CN(C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C

InChI

InChI=1S/C22H29N3O6S3/c1-18-3-7-20(8-4-18)32-16-11-23-22(26)17-25(33(2,27)28)19-5-9-21(10-6-19)34(29,30)24-12-14-31-15-13-24/h3-10H,11-17H2,1-2H3,(H,23,26)