(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl 4-pyrrol-1-ylbenzoate

Systemtic Name: (4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl 4-pyrrol-1-ylbenzoate Openeye Name: (4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid [[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl ester IUPAC Name: (4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid (4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl ester Formula: C18H17N5O7S MolecularWeight: 447.42188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)OC(=O)C2=CC=C(C=C2)N3C=CC=C3)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)OC(=O)C2=CC=C(C=C2)N3C=CC=C3)OC

InChI

InChI=1S/C18H17N5O7S/c1-28-14-11-15(29-2)20-17(19-14)21-18(25)22-31(26,27)30-16(24)12-5-7-13(8-6-12)23-9-3-4-10-23/h3-11H,1-2H3,(H2,19,20,21,22,25)