(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(2-morpholin-4-ylpyridin-3-yl)methyl]butanamide

Systemtic Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(2-morpholin-4-ylpyridin-3-yl)methyl]butanamide Openeye Name: (2S)-3-methyl-N-[(2-morpholino-3-pyridyl)methyl]-2-(p-tolylsulfonylamino)butanamide CAS Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[[2-(4-morpholinyl)-3-pyridinyl]methyl]butanamide IUPAC Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(2-morpholin-4-ylpyridin-3-yl)methyl]butanamide Traditional Name: (2S)-3-methyl-N-[(2-morpholino-3-pyridyl)methyl]-2-(tosylamino)butyramide Formula: C22H30N4O4S MolecularWeight: 446.563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)NCC2=C(N=CC=C2)N3CCOCC3

InChI

InChI=1S/C22H30N4O4S/c1-16(2)20(25-31(28,29)19-8-6-17(3)7-9-19)22(27)24-15-18-5-4-10-23-21(18)26-11-13-30-14-12-26/h4-10,16,20,25H,11-15H2,1-3H3,(H,24,27)/t20-/m0/s1