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

Systemtic Name: [3-methyl-5-[4-(2-methyl-1,2,3,4-tetrazol-5-yl)phenoxy]pentyl] 4-methylbenzenesulfonate Openeye Name: [3-methyl-5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-methyl-5-[4-(2-methyl-5-tetrazolyl)phenoxy]pentyl] ester IUPAC Name: [3-methyl-5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-methyl-5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl] ester Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C)CCOC2=CC=C(C=C2)C3=NN(N=N3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C)CCOC2=CC=C(C=C2)C3=NN(N=N3)C

InChI

InChI=1S/C21H26N4O4S/c1-16-4-10-20(11-5-16)30(26,27)29-15-13-17(2)12-14-28-19-8-6-18(7-9-19)21-22-24-25(3)23-21/h4-11,17H,12-15H2,1-3H3