[1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 3,4-dimethyl-5-sulfamoyl-benzoate

Systemtic Name: [1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 3,4-dimethyl-5-sulfamoyl-benzoate Openeye Name: (1-methyl-2-oxo-2-ureido-ethyl) 3,4-dimethyl-5-sulfamoyl-benzoate CAS Name: 3,4-dimethyl-5-sulfamoylbenzoic acid [1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-1-oxopropan-2-yl] 3,4-dimethyl-5-sulfamoylbenzoate Traditional Name: 3,4-dimethyl-5-sulfamoyl-benzoic acid (2-keto-1-methyl-2-ureido-ethyl) ester Formula: C13H17N3O6S MolecularWeight: 343.35558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)OC(C)C(=O)NC(=O)N)S(=O)(=O)N)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)OC(C)C(=O)NC(=O)N)S(=O)(=O)N)C

InChI

InChI=1S/C13H17N3O6S/c1-6-4-9(5-10(7(6)2)23(15,20)21)12(18)22-8(3)11(17)16-13(14)19/h4-5,8H,1-3H3,(H2,15,20,21)(H3,14,16,17,19)