[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 4-methyl-3-sulfamoyl-benzoate

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 4-methyl-3-sulfamoyl-benzoate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 4-methyl-3-sulfamoyl-benzoate CAS Name: 4-methyl-3-sulfamoylbenzoic acid [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 4-methyl-3-sulfamoylbenzoate Traditional Name: 4-methyl-3-sulfamoyl-benzoic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C14H18N6O4S MolecularWeight: 366.39552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=NC(=NC(=N2)N(C)C)N)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=NC(=NC(=N2)N(C)C)N)S(=O)(=O)N

InChI

InChI=1S/C14H18N6O4S/c1-8-4-5-9(6-10(8)25(16,22)23)12(21)24-7-11-17-13(15)19-14(18-11)20(2)3/h4-6H,7H2,1-3H3,(H2,16,22,23)(H2,15,17,18,19)