[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

Systemtic Name: [1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Openeye Name: (1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)methyl 3-(4-morpholinosulfonylphenyl)propanoate CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]propanoic acid (1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)methyl ester IUPAC Name: (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-morpholinosulfonylphenyl)propionic acid (2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)methyl ester Formula: C20H25N3O7S MolecularWeight: 451.4934

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H25N3O7S/c1-21-16(13-18(24)22(2)20(21)26)14-30-19(25)8-5-15-3-6-17(7-4-15)31(27,28)23-9-11-29-12-10-23/h3-4,6-7,13H,5,8-12,14H2,1-2H3