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

Systemtic Name: (2S)-N-(3-ethyl-2-morpholin-4-yl-pentyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide Openeye Name: (2S)-N-(3-ethyl-2-morpholino-pentyl)-3-methyl-2-(p-tolylsulfonylamino)butanamide CAS Name: (2S)-N-[3-ethyl-2-(4-morpholinyl)pentyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide IUPAC Name: (2S)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide Traditional Name: (2S)-N-(3-ethyl-2-morpholino-pentyl)-3-methyl-2-(tosylamino)butyramide Formula: C23H39N3O4S MolecularWeight: 453.63846

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(CNC(=O)C(C(C)C)NS(=O)(=O)C1=CC=C(C=C1)C)N2CCOCC2

Isomeric SMILES

CCC(CC)C(CNC(=O)[C@H](C(C)C)NS(=O)(=O)C1=CC=C(C=C1)C)N2CCOCC2

InChI

InChI=1S/C23H39N3O4S/c1-6-19(7-2)21(26-12-14-30-15-13-26)16-24-23(27)22(17(3)4)25-31(28,29)20-10-8-18(5)9-11-20/h8-11,17,19,21-22,25H,6-7,12-16H2,1-5H3,(H,24,27)/t21?,22-/m0/s1