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

Systemtic Name: 4-[[4-(propan-2-ylcarbamoyl)-1,2,3-thiadiazol-5-yl]carbamoylamino]benzenesulfonate Openeye Name: 4-[[4-(isopropylcarbamoyl)thiadiazol-5-yl]carbamoylamino]benzenesulfonate CAS Name: 4-[[oxo-[[4-[oxo-(propan-2-ylamino)methyl]-5-thiadiazolyl]amino]methyl]amino]benzenesulfonate IUPAC Name: 4-[[4-(propan-2-ylcarbamoyl)thiadiazol-5-yl]carbamoylamino]benzenesulfonate Traditional Name: 4-[[4-(isopropylcarbamoyl)thiadiazol-5-yl]carbamoylamino]besylate Formula: C13H14N5O5S2- MolecularWeight: 384.41076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=C(SN=N1)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)NC(=O)C1=C(SN=N1)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C13H15N5O5S2/c1-7(2)14-11(19)10-12(24-18-17-10)16-13(20)15-8-3-5-9(6-4-8)25(21,22)23/h3-7H,1-2H3,(H,14,19)(H2,15,16,20)(H,21,22,23)/p-1