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

Systemtic Name: [3-(1,2,3,4-tetrazol-1-yl)phenyl] 2-oxidanylidene-3,4-dihydro-1H-quinoline-6-sulfonate Openeye Name: [3-(tetrazol-1-yl)phenyl] 2-oxo-3,4-dihydro-1H-quinoline-6-sulfonate CAS Name: 2-oxo-3,4-dihydro-1H-quinoline-6-sulfonic acid [3-(1-tetrazolyl)phenyl] ester IUPAC Name: [3-(tetrazol-1-yl)phenyl] 2-oxo-3,4-dihydro-1H-quinoline-6-sulfonate Traditional Name: 2-keto-3,4-dihydro-1H-quinoline-6-sulfonic acid [3-(tetrazol-1-yl)phenyl] ester Formula: C16H13N5O4S MolecularWeight: 371.37052

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)OC3=CC=CC(=C3)N4C=NN=N4

Isomeric SMILES

C1CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)OC3=CC=CC(=C3)N4C=NN=N4

InChI

InChI=1S/C16H13N5O4S/c22-16-7-4-11-8-14(5-6-15(11)18-16)26(23,24)25-13-3-1-2-12(9-13)21-10-17-19-20-21/h1-3,5-6,8-10H,4,7H2,(H,18,22)