(5-phenyl-1,2-oxazol-3-yl)methyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate Openeye Name: (5-phenylisoxazol-3-yl)methyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]propionic acid (5-phenylisoxazol-3-yl)methyl ester Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=NOC(=C2)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=NOC(=C2)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H22N2O7S/c1-27-18-9-8-17(13-20(18)28-2)31(25,26)22-11-10-21(24)29-14-16-12-19(30-23-16)15-6-4-3-5-7-15/h3-9,12-13,22H,10-11,14H2,1-2H3