[2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] pyrazolo[1,5-a]pyrimidine-3-carboxylate

Systemtic Name: [2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] pyrazolo[1,5-a]pyrimidine-3-carboxylate Openeye Name: [2-[2-chloro-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] pyrazolo[1,5-a]pyrimidine-3-carboxylate CAS Name: 3-pyrazolo[1,5-a]pyrimidinecarboxylic acid [2-[2-chloro-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] pyrazolo[1,5-a]pyrimidine-3-carboxylate Traditional Name: pyrazolo[1,5-a]pyrimidine-3-carboxylic acid [2-(2-chloro-5-piperidinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C20H20ClN5O5S MolecularWeight: 477.9213

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C3=C4N=CC=CN4N=C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C3=C4N=CC=CN4N=C3

InChI

InChI=1S/C20H20ClN5O5S/c21-16-6-5-14(32(29,30)25-8-2-1-3-9-25)11-17(16)24-18(27)13-31-20(28)15-12-23-26-10-4-7-22-19(15)26/h4-7,10-12H,1-3,8-9,13H2,(H,24,27)