2-[[3-(1,2,3,4-tetrazol-1-ylsulfanyl)phenyl]carbamoyl]benzenesulfonic acid

Systemtic Name: 2-[[3-(1,2,3,4-tetrazol-1-ylsulfanyl)phenyl]carbamoyl]benzenesulfonic acid Openeye Name: 2-[[3-(tetrazol-1-ylsulfanyl)phenyl]carbamoyl]benzenesulfonic acid CAS Name: 2-[oxo-[3-(1-tetrazolylthio)anilino]methyl]benzenesulfonic acid IUPAC Name: 2-[[3-(tetrazol-1-ylsulfanyl)phenyl]carbamoyl]benzenesulfonic acid Traditional Name: 2-[[3-(tetrazol-1-ylthio)phenyl]carbamoyl]besylic acid Formula: C14H11N5O4S2 MolecularWeight: 377.39824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC(=CC=C2)SN3C=NN=N3)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC(=CC=C2)SN3C=NN=N3)S(=O)(=O)O

InChI

InChI=1S/C14H11N5O4S2/c20-14(12-6-1-2-7-13(12)25(21,22)23)16-10-4-3-5-11(8-10)24-19-9-15-17-18-19/h1-9H,(H,16,20)(H,21,22,23)