4-[4-[(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)carbonyl]piperazin-1-yl]sulfonylbenzoic acid

Systemtic Name: 4-[4-[(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)carbonyl]piperazin-1-yl]sulfonylbenzoic acid Openeye Name: 4-[4-[4-methyl-2-(4-pyridyl)thiazole-5-carbonyl]piperazin-1-yl]sulfonylbenzoic acid CAS Name: 4-[[4-[(4-methyl-2-pyridin-4-yl-5-thiazolyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 4-[4-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 4-[4-[4-methyl-2-(4-pyridyl)thiazole-5-carbonyl]piperazino]sulfonylbenzoic acid Formula: C21H20N4O5S2 MolecularWeight: 472.5373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=NC=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=NC=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H20N4O5S2/c1-14-18(31-19(23-14)15-6-8-22-9-7-15)20(26)24-10-12-25(13-11-24)32(29,30)17-4-2-16(3-5-17)21(27)28/h2-9H,10-13H2,1H3,(H,27,28)