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

Systemtic Name: [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [3-(4-methoxyphenyl)isoxazol-5-yl]methyl 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [3-(4-methoxyphenyl)-5-isoxazolyl]methyl ester IUPAC Name: [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [3-(4-methoxyphenyl)isoxazol-5-yl]methyl ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=CC(=NO2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=CC(=NO2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H22N2O6S/c1-15-3-9-19(10-4-15)30(25,26)22-12-11-21(24)28-14-18-13-20(23-29-18)16-5-7-17(27-2)8-6-16/h3-10,13,22H,11-12,14H2,1-2H3