(2-acetamido-1,3-thiazol-4-yl)methyl 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate Openeye Name: (2-acetamidothiazol-4-yl)methyl 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate CAS Name: 2-[(2,5-dimethylphenyl)sulfonylamino]benzoic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate Traditional Name: 2-[(2,5-dimethylphenyl)sulfonylamino]benzoic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC3=CSC(=N3)NC(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC3=CSC(=N3)NC(=O)C

InChI

InChI=1S/C21H21N3O5S2/c1-13-8-9-14(2)19(10-13)31(27,28)24-18-7-5-4-6-17(18)20(26)29-11-16-12-30-21(23-16)22-15(3)25/h4-10,12,24H,11H2,1-3H3,(H,22,23,25)