methyl 3-[(pyrazolo[1,5-a]pyrimidin-2-ylcarbonylamino)methyl]-5-(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: methyl 3-[(pyrazolo[1,5-a]pyrimidin-2-ylcarbonylamino)methyl]-5-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: methyl 3-[(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)methyl]-5-(2-thienylsulfonylamino)benzoate CAS Name: 3-[[[oxo(2-pyrazolo[1,5-a]pyrimidinyl)methyl]amino]methyl]-5-(thiophen-2-ylsulfonylamino)benzoic acid methyl ester IUPAC Name: methyl 3-[(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)methyl]-5-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 3-[(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)methyl]-5-(2-thienylsulfonylamino)benzoic acid methyl ester Formula: C20H17N5O5S2 MolecularWeight: 471.50948

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CS2)CNC(=O)C3=NN4C=CC=NC4=C3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CS2)CNC(=O)C3=NN4C=CC=NC4=C3

InChI

InChI=1S/C20H17N5O5S2/c1-30-20(27)14-8-13(9-15(10-14)24-32(28,29)18-4-2-7-31-18)12-22-19(26)16-11-17-21-5-3-6-25(17)23-16/h2-11,24H,12H2,1H3,(H,22,26)