4-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]sulfonylbenzoic acid

Systemtic Name: 4-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]sulfonylbenzoic acid Openeye Name: 4-[4-(2-acetamido-4-methyl-thiazol-5-yl)pyrazol-1-yl]sulfonylbenzoic acid CAS Name: 4-[[4-(2-acetamido-4-methyl-5-thiazolyl)-1-pyrazolyl]sulfonyl]benzoic acid IUPAC Name: 4-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]sulfonylbenzoic acid Traditional Name: 4-[4-(2-acetamido-4-methyl-thiazol-5-yl)pyrazol-1-yl]sulfonylbenzoic acid Formula: C16H14N4O5S2 MolecularWeight: 406.43616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C)C2=CN(N=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C)C2=CN(N=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H14N4O5S2/c1-9-14(26-16(18-9)19-10(2)21)12-7-17-20(8-12)27(24,25)13-5-3-11(4-6-13)15(22)23/h3-8H,1-2H3,(H,22,23)(H,18,19,21)