4-[(4-bromanyl-1,2,3-thiadiazol-5-yl)carbamoylamino]benzenesulfonate

Systemtic Name: 4-[(4-bromanyl-1,2,3-thiadiazol-5-yl)carbamoylamino]benzenesulfonate Openeye Name: 4-[(4-bromothiadiazol-5-yl)carbamoylamino]benzenesulfonate CAS Name: 4-[[[(4-bromo-5-thiadiazolyl)amino]-oxomethyl]amino]benzenesulfonate IUPAC Name: 4-[(4-bromothiadiazol-5-yl)carbamoylamino]benzenesulfonate Traditional Name: 4-[(4-bromothiadiazol-5-yl)carbamoylamino]besylate Formula: C9H6BrN4O4S2- MolecularWeight: 378.20234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)NC2=C(N=NS2)Br)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)NC2=C(N=NS2)Br)S(=O)(=O)[O-]

InChI

InChI=1S/C9H7BrN4O4S2/c10-7-8(19-14-13-7)12-9(15)11-5-1-3-6(4-2-5)20(16,17)18/h1-4H,(H2,11,12,15)(H,16,17,18)/p-1