1-(dimethylamino)propan-2-yl 3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoate

Systemtic Name: 1-(dimethylamino)propan-2-yl 3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoate Openeye Name: [2-(dimethylamino)-1-methyl-ethyl] 3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoate CAS Name: 3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoic acid 1-(dimethylamino)propan-2-yl ester IUPAC Name: 1-(dimethylamino)propan-2-yl 3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoate Traditional Name: 3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoic acid [2-(dimethylamino)-1-methyl-ethyl] ester Formula: C14H19N5O6S3 MolecularWeight: 449.52556

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C)C)OC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=NN=C(S2)S(=O)(=O)N

Isomeric SMILES

CC(CN(C)C)OC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=NN=C(S2)S(=O)(=O)N

InChI

InChI=1S/C14H19N5O6S3/c1-9(8-19(2)3)25-12(20)10-5-4-6-11(7-10)28(23,24)18-13-16-17-14(26-13)27(15,21)22/h4-7,9H,8H2,1-3H3,(H,16,18)(H2,15,21,22)