[4-(imidazol-1-ylmethyl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(imidazol-1-ylmethyl)phenyl] 4-methylbenzenesulfonate Openeye Name: [4-(imidazol-1-ylmethyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(1-imidazolylmethyl)phenyl] ester IUPAC Name: [4-(imidazol-1-ylmethyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(imidazol-1-ylmethyl)phenyl] ester Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)CN3C=CN=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)CN3C=CN=C3

InChI

InChI=1S/C17H16N2O3S/c1-14-2-8-17(9-3-14)23(20,21)22-16-6-4-15(5-7-16)12-19-11-10-18-13-19/h2-11,13H,12H2,1H3