2-[[3-(2H-1,2,3,4-tetrazol-5-ylsulfanyl)phenyl]carbamoyl]benzenesulfonic acid

Systemtic Name: 2-[[3-(2H-1,2,3,4-tetrazol-5-ylsulfanyl)phenyl]carbamoyl]benzenesulfonic acid Openeye Name: 2-[[3-(2H-tetrazol-5-ylsulfanyl)phenyl]carbamoyl]benzenesulfonic acid CAS Name: 2-[oxo-[3-(2H-tetrazol-5-ylthio)anilino]methyl]benzenesulfonic acid IUPAC Name: 2-[[3-(2H-tetrazol-5-ylsulfanyl)phenyl]carbamoyl]benzenesulfonic acid Traditional Name: 2-[[3-(2H-tetrazol-5-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)SC3=NNN=N3)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC(=CC=C2)SC3=NNN=N3)S(=O)(=O)O

InChI

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