(3-phenoxyphenyl)methyl 4-(cyanomethyl)benzenesulfonate

Systemtic Name: (3-phenoxyphenyl)methyl 4-(cyanomethyl)benzenesulfonate Openeye Name: (3-phenoxyphenyl)methyl 4-(cyanomethyl)benzenesulfonate CAS Name: 4-(cyanomethyl)benzenesulfonic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 4-(cyanomethyl)benzenesulfonate Traditional Name: 4-(cyanomethyl)benzenesulfonic acid (3-phenoxybenzyl) ester Formula: C21H17NO4S MolecularWeight: 379.42898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)COS(=O)(=O)C3=CC=C(C=C3)CC#N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)COS(=O)(=O)C3=CC=C(C=C3)CC#N

InChI

InChI=1S/C21H17NO4S/c22-14-13-17-9-11-21(12-10-17)27(23,24)25-16-18-5-4-8-20(15-18)26-19-6-2-1-3-7-19/h1-12,15H,13,16H2