(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl 4-pyrrol-1-ylbenzoate

Systemtic Name: (4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl 4-pyrrol-1-ylbenzoate Openeye Name: (4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid [[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]-oxomethyl]sulfamoyl ester IUPAC Name: (4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid (4-methoxy-6-methyl-s-triazin-2-yl)carbamoylsulfamoyl ester Formula: C17H16N6O6S MolecularWeight: 432.41054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)OC(=O)C2=CC=C(C=C2)N3C=CC=C3

Isomeric SMILES

CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)OC(=O)C2=CC=C(C=C2)N3C=CC=C3

InChI

InChI=1S/C17H16N6O6S/c1-11-18-15(21-17(19-11)28-2)20-16(25)22-30(26,27)29-14(24)12-5-7-13(8-6-12)23-9-3-4-10-23/h3-10H,1-2H3,(H2,18,19,20,21,22,25)