5-[2-[[4-(4-methylsulfonylpiperazin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid

Systemtic Name: 5-[2-[[4-(4-methylsulfonylpiperazin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid Openeye Name: 5-[2-[[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridyl]amino]thiazol-5-yl]pyridine-3-carboxylic acid CAS Name: 5-[2-[[4-(4-methylsulfonyl-1-piperazinyl)-2-pyridinyl]amino]-5-thiazolyl]-3-pyridinecarboxylic acid IUPAC Name: 5-[2-[[4-(4-methylsulfonylpiperazin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid Traditional Name: 5-[2-[[4-(4-mesylpiperazino)-2-pyridyl]amino]thiazol-5-yl]nicotinic acid Formula: C19H20N6O4S2 MolecularWeight: 460.5299

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC(=NC=C2)NC3=NC=C(S3)C4=CC(=CN=C4)C(=O)O

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC(=NC=C2)NC3=NC=C(S3)C4=CC(=CN=C4)C(=O)O

InChI

InChI=1S/C19H20N6O4S2/c1-31(28,29)25-6-4-24(5-7-25)15-2-3-21-17(9-15)23-19-22-12-16(30-19)13-8-14(18(26)27)11-20-10-13/h2-3,8-12H,4-7H2,1H3,(H,26,27)(H,21,22,23)