(2S)-N-(2-methyl-2-morpholin-4-yl-propyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanamide

Systemtic Name: (2S)-N-(2-methyl-2-morpholin-4-yl-propyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanamide Openeye Name: (2S)-N-(2-methyl-2-morpholino-propyl)-4-methylsulfanyl-2-(p-tolylsulfonylamino)butanamide CAS Name: (2S)-N-[2-methyl-2-(4-morpholinyl)propyl]-2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)butanamide IUPAC Name: (2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide Traditional Name: (2S)-N-(2-methyl-2-morpholino-propyl)-4-(methylthio)-2-(tosylamino)butyramide Formula: C20H33N3O4S2 MolecularWeight: 443.62372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCC(C)(C)N2CCOCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCSC)C(=O)NCC(C)(C)N2CCOCC2

InChI

InChI=1S/C20H33N3O4S2/c1-16-5-7-17(8-6-16)29(25,26)22-18(9-14-28-4)19(24)21-15-20(2,3)23-10-12-27-13-11-23/h5-8,18,22H,9-15H2,1-4H3,(H,21,24)/t18-/m0/s1