thietan-3-yl 2-[(4-chloranyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoate

Systemtic Name: thietan-3-yl 2-[(4-chloranyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoate Openeye Name: thietan-3-yl 2-[(4-chloro-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoate CAS Name: 2-[[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]benzoic acid 3-thietanyl ester IUPAC Name: thietan-3-yl 2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoate Traditional Name: 2-[(4-chloro-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid thietan-3-yl ester Formula: C16H15ClN4O6S2 MolecularWeight: 458.8965

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC3CSC3)Cl

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC3CSC3)Cl

InChI

InChI=1S/C16H15ClN4O6S2/c1-26-13-6-12(17)18-15(19-13)20-16(23)21-29(24,25)11-5-3-2-4-10(11)14(22)27-9-7-28-8-9/h2-6,9H,7-8H2,1H3,(H2,18,19,20,21,23)