4-[2-[2-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonylamino]phenyl]ethyl]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C)S(=O)(=O)NC2=CC=CC=C2CCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C)S(=O)(=O)NC2=CC=CC=C2CCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H21N3O5S2/c1-13-20(30-21(22-13)23-14(2)25)31(28,29)24-18-6-4-3-5-16(18)10-7-15-8-11-17(12-9-15)19(26)27/h3-6,8-9,11-12,24H,7,10H2,1-2H3,(H,26,27)(H,22,23,25)