(4-imidazol-1-ylphenyl) 2-methylbenzenesulfonate

Systemtic Name: (4-imidazol-1-ylphenyl) 2-methylbenzenesulfonate Openeye Name: (4-imidazol-1-ylphenyl) 2-methylbenzenesulfonate CAS Name: 2-methylbenzenesulfonic acid [4-(1-imidazolyl)phenyl] ester IUPAC Name: (4-imidazol-1-ylphenyl) 2-methylbenzenesulfonate Traditional Name: 2-methylbenzenesulfonic acid (4-imidazol-1-ylphenyl) ester Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)OC2=CC=C(C=C2)N3C=CN=C3

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)OC2=CC=C(C=C2)N3C=CN=C3

InChI

InChI=1S/C16H14N2O3S/c1-13-4-2-3-5-16(13)22(19,20)21-15-8-6-14(7-9-15)18-11-10-17-12-18/h2-12H,1H3