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

Systemtic Name: 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[(2-morpholin-4-ylpyridin-4-yl)methyl]butanamide Openeye Name: 4-methylsulfanyl-N-[(2-morpholino-4-pyridyl)methyl]-2-(p-tolylsulfonylamino)butanamide CAS Name: 2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)-N-[[2-(4-morpholinyl)-4-pyridinyl]methyl]butanamide IUPAC Name: 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[(2-morpholin-4-ylpyridin-4-yl)methyl]butanamide Traditional Name: 4-(methylthio)-N-[(2-morpholino-4-pyridyl)methyl]-2-(tosylamino)butyramide Formula: C22H30N4O4S2 MolecularWeight: 478.628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCC2=CC(=NC=C2)N3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCC2=CC(=NC=C2)N3CCOCC3

InChI

InChI=1S/C22H30N4O4S2/c1-17-3-5-19(6-4-17)32(28,29)25-20(8-14-31-2)22(27)24-16-18-7-9-23-21(15-18)26-10-12-30-13-11-26/h3-7,9,15,20,25H,8,10-14,16H2,1-2H3,(H,24,27)