[3-(1,2,3,4-tetrazol-1-yl)phenyl] 6-chloranyl-2-oxidanylidene-3,4-dihydro-1H-quinoline-7-sulfonate

Systemtic Name: [3-(1,2,3,4-tetrazol-1-yl)phenyl] 6-chloranyl-2-oxidanylidene-3,4-dihydro-1H-quinoline-7-sulfonate Openeye Name: [3-(tetrazol-1-yl)phenyl] 6-chloro-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonate CAS Name: 6-chloro-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonic acid [3-(1-tetrazolyl)phenyl] ester IUPAC Name: [3-(tetrazol-1-yl)phenyl] 6-chloro-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonate Traditional Name: 6-chloro-2-keto-3,4-dihydro-1H-quinoline-7-sulfonic acid [3-(tetrazol-1-yl)phenyl] ester Formula: C16H12ClN5O4S MolecularWeight: 405.81558

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC2=CC(=C(C=C21)Cl)S(=O)(=O)OC3=CC=CC(=C3)N4C=NN=N4

Isomeric SMILES

C1CC(=O)NC2=CC(=C(C=C21)Cl)S(=O)(=O)OC3=CC=CC(=C3)N4C=NN=N4

InChI

InChI=1S/C16H12ClN5O4S/c17-13-6-10-4-5-16(23)19-14(10)8-15(13)27(24,25)26-12-3-1-2-11(7-12)22-9-18-20-21-22/h1-3,6-9H,4-5H2,(H,19,23)