3-[(4-methylphenyl)sulfonylcarbamoylamino]-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide

Systemtic Name: 3-[(4-methylphenyl)sulfonylcarbamoylamino]-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide Openeye Name: 3-(p-tolylsulfonylcarbamoylamino)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide CAS Name: 3-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide IUPAC Name: 3-[(4-methylphenyl)sulfonylcarbamoylamino]-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide Traditional Name: N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-(tosylcarbamoylamino)propionamide Formula: C13H16N6O6S3 MolecularWeight: 448.49774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCCC(=O)NC2=NN=C(S2)S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCCC(=O)NC2=NN=C(S2)S(=O)(=O)N

InChI

InChI=1S/C13H16N6O6S3/c1-8-2-4-9(5-3-8)28(24,25)19-11(21)15-7-6-10(20)16-12-17-18-13(26-12)27(14,22)23/h2-5H,6-7H2,1H3,(H2,14,22,23)(H2,15,19,21)(H,16,17,20)