methyl 2-[4-[(2-pyrazol-1-ylpyridin-3-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[(2-pyrazol-1-ylpyridin-3-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[(2-pyrazol-1-yl-3-pyridyl)carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[oxo-[[2-(1-pyrazolyl)-3-pyridinyl]amino]methyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(2-pyrazol-1-ylpyridin-3-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[(2-pyrazol-1-yl-3-pyridyl)carbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C22H23N5O5S MolecularWeight: 469.51352

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(N=CC=C3)N4C=CC=N4

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(N=CC=C3)N4C=CC=N4

InChI

InChI=1S/C22H23N5O5S/c1-32-22(29)17-6-2-3-8-19(17)33(30,31)26-14-9-16(10-15-26)21(28)25-18-7-4-11-23-20(18)27-13-5-12-24-27/h2-8,11-13,16H,9-10,14-15H2,1H3,(H,25,28)