2-[methylsulfonyl-(4-morpholin-4-ylsulfonylphenyl)amino]-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide

Systemtic Name: 2-[methylsulfonyl-(4-morpholin-4-ylsulfonylphenyl)amino]-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide Openeye Name: N-(2-benzylsulfanylethyl)-2-(N-methylsulfonyl-4-morpholinosulfonyl-anilino)acetamide CAS Name: 2-[N-methylsulfonyl-4-(4-morpholinylsulfonyl)anilino]-N-[2-(phenylmethylthio)ethyl]acetamide IUPAC Name: N-(2-benzylsulfanylethyl)-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide Traditional Name: N-[2-(benzylthio)ethyl]-2-(N-mesyl-4-morpholinosulfonyl-anilino)acetamide Formula: C22H29N3O6S3 MolecularWeight: 527.67716

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCSCC1=CC=CC=C1)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCSCC1=CC=CC=C1)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H29N3O6S3/c1-33(27,28)25(17-22(26)23-11-16-32-18-19-5-3-2-4-6-19)20-7-9-21(10-8-20)34(29,30)24-12-14-31-15-13-24/h2-10H,11-18H2,1H3,(H,23,26)