2-(4-methoxyphenyl)sulfonyl-3-methyl-2-[(3-morpholin-4-yl-3-oxidanylidene-propyl)amino]butanoic acid

Systemtic Name: 2-(4-methoxyphenyl)sulfonyl-3-methyl-2-[(3-morpholin-4-yl-3-oxidanylidene-propyl)amino]butanoic acid Openeye Name: 2-(4-methoxyphenyl)sulfonyl-3-methyl-2-[(3-morpholino-3-oxo-propyl)amino]butanoic acid CAS Name: 2-(4-methoxyphenyl)sulfonyl-3-methyl-2-[[3-(4-morpholinyl)-3-oxopropyl]amino]butanoic acid IUPAC Name: 2-(4-methoxyphenyl)sulfonyl-3-methyl-2-[(3-morpholin-4-yl-3-oxopropyl)amino]butanoic acid Traditional Name: 2-[(3-keto-3-morpholino-propyl)amino]-2-(4-methoxyphenyl)sulfonyl-3-methyl-butyric acid Formula: C19H28N2O7S MolecularWeight: 428.49982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)(NCCC(=O)N1CCOCC1)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)C(C(=O)O)(NCCC(=O)N1CCOCC1)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C19H28N2O7S/c1-14(2)19(18(23)24,20-9-8-17(22)21-10-12-28-13-11-21)29(25,26)16-6-4-15(27-3)5-7-16/h4-7,14,20H,8-13H2,1-3H3,(H,23,24)