2-[methylsulfonyl-(4-morpholin-4-ylsulfonylphenyl)amino]-N-(3-phenylsulfanylpropyl)ethanamide

Systemtic Name: 2-[methylsulfonyl-(4-morpholin-4-ylsulfonylphenyl)amino]-N-(3-phenylsulfanylpropyl)ethanamide Openeye Name: 2-(N-methylsulfonyl-4-morpholinosulfonyl-anilino)-N-(3-phenylsulfanylpropyl)acetamide CAS Name: 2-[N-methylsulfonyl-4-(4-morpholinylsulfonyl)anilino]-N-[3-(phenylthio)propyl]acetamide IUPAC Name: 2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide Traditional Name: 2-(N-mesyl-4-morpholinosulfonyl-anilino)-N-[3-(phenylthio)propyl]acetamide Formula: C22H29N3O6S3 MolecularWeight: 527.67716

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCCSC1=CC=CC=C1)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCCSC1=CC=CC=C1)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

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