[4-(1,2,3,4-tetrazol-1-yl)phenyl] 8-methylquinoline-5-sulfonate

Systemtic Name: [4-(1,2,3,4-tetrazol-1-yl)phenyl] 8-methylquinoline-5-sulfonate Openeye Name: [4-(tetrazol-1-yl)phenyl] 8-methylquinoline-5-sulfonate CAS Name: 8-methyl-5-quinolinesulfonic acid [4-(1-tetrazolyl)phenyl] ester IUPAC Name: [4-(tetrazol-1-yl)phenyl] 8-methylquinoline-5-sulfonate Traditional Name: 8-methylquinoline-5-sulfonic acid [4-(tetrazol-1-yl)phenyl] ester Formula: C17H13N5O3S MolecularWeight: 367.38182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)S(=O)(=O)OC3=CC=C(C=C3)N4C=NN=N4)C=CC=N2

Isomeric SMILES

CC1=C2C(=C(C=C1)S(=O)(=O)OC3=CC=C(C=C3)N4C=NN=N4)C=CC=N2

InChI

InChI=1S/C17H13N5O3S/c1-12-4-9-16(15-3-2-10-18-17(12)15)26(23,24)25-14-7-5-13(6-8-14)22-11-19-20-21-22/h2-11H,1H3