[5-[4-(2-ethyl-1,2,3,4-tetrazol-5-yl)phenoxy]-3-methyl-pentyl] 4-methylbenzenesulfonate

Systemtic Name: [5-[4-(2-ethyl-1,2,3,4-tetrazol-5-yl)phenoxy]-3-methyl-pentyl] 4-methylbenzenesulfonate Openeye Name: [5-[4-(2-ethyltetrazol-5-yl)phenoxy]-3-methyl-pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-[4-(2-ethyl-5-tetrazolyl)phenoxy]-3-methylpentyl] ester IUPAC Name: [5-[4-(2-ethyltetrazol-5-yl)phenoxy]-3-methylpentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-[4-(2-ethyltetrazol-5-yl)phenoxy]-3-methyl-pentyl] ester Formula: C22H28N4O4S MolecularWeight: 444.54712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1N=C(N=N1)C2=CC=C(C=C2)OCCC(C)CCOS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCN1N=C(N=N1)C2=CC=C(C=C2)OCCC(C)CCOS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H28N4O4S/c1-4-26-24-22(23-25-26)19-7-9-20(10-8-19)29-15-13-18(3)14-16-30-31(27,28)21-11-5-17(2)6-12-21/h5-12,18H,4,13-16H2,1-3H3