(2-phenyl-1,3-thiazol-4-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: (2-phenylthiazol-4-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-acetamidophenyl)sulfonylamino]propanoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-acetamidophenyl)sulfonylamino]propionic acid (2-phenylthiazol-4-yl)methyl ester Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=CSC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=CSC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O5S2/c1-15(25)23-17-7-9-19(10-8-17)31(27,28)22-12-11-20(26)29-13-18-14-30-21(24-18)16-5-3-2-4-6-16/h2-10,14,22H,11-13H2,1H3,(H,23,25)