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

Systemtic Name: 2-(4-methoxyphenyl)sulfonyl-3-methyl-2-[(2-morpholin-4-yl-2-oxidanylidene-ethyl)amino]butanoic acid Openeye Name: 2-(4-methoxyphenyl)sulfonyl-3-methyl-2-[(2-morpholino-2-oxo-ethyl)amino]butanoic acid CAS Name: 2-(4-methoxyphenyl)sulfonyl-3-methyl-2-[[2-(4-morpholinyl)-2-oxoethyl]amino]butanoic acid IUPAC Name: 2-(4-methoxyphenyl)sulfonyl-3-methyl-2-[(2-morpholin-4-yl-2-oxoethyl)amino]butanoic acid Traditional Name: 2-[(2-keto-2-morpholino-ethyl)amino]-2-(4-methoxyphenyl)sulfonyl-3-methyl-butyric acid Formula: C18H26N2O7S MolecularWeight: 414.47324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O7S/c1-13(2)18(17(22)23,19-12-16(21)20-8-10-27-11-9-20)28(24,25)15-6-4-14(26-3)5-7-15/h4-7,13,19H,8-12H2,1-3H3,(H,22,23)