[3-(1,2,3,4-tetrazol-1-yl)phenyl] 2-chloranyl-5-methylsulfonyl-benzenesulfonate

Systemtic Name: [3-(1,2,3,4-tetrazol-1-yl)phenyl] 2-chloranyl-5-methylsulfonyl-benzenesulfonate Openeye Name: [3-(tetrazol-1-yl)phenyl] 2-chloro-5-methylsulfonyl-benzenesulfonate CAS Name: 2-chloro-5-methylsulfonylbenzenesulfonic acid [3-(1-tetrazolyl)phenyl] ester IUPAC Name: [3-(tetrazol-1-yl)phenyl] 2-chloro-5-methylsulfonylbenzenesulfonate Traditional Name: 2-chloro-5-mesyl-benzenesulfonic acid [3-(tetrazol-1-yl)phenyl] ester Formula: C14H11ClN4O5S2 MolecularWeight: 414.84394

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)OC2=CC=CC(=C2)N3C=NN=N3

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)OC2=CC=CC(=C2)N3C=NN=N3

InChI

InChI=1S/C14H11ClN4O5S2/c1-25(20,21)12-5-6-13(15)14(8-12)26(22,23)24-11-4-2-3-10(7-11)19-9-16-17-18-19/h2-9H,1H3