(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C17H21N3O6S MolecularWeight: 395.43014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC1=C(C(=NO1)C)COC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C17H21N3O6S/c1-11-16(12(2)26-19-11)10-25-17(22)9-20(4)27(23,24)15-7-5-14(6-8-15)18-13(3)21/h5-8H,9-10H2,1-4H3,(H,18,21)