pyridin-3-ylmethyl 2-[4-[4-(thiiran-2-ylmethylsulfonyl)phenoxy]phenyl]ethanoate

Systemtic Name: pyridin-3-ylmethyl 2-[4-[4-(thiiran-2-ylmethylsulfonyl)phenoxy]phenyl]ethanoate Openeye Name: 3-pyridylmethyl 2-[4-[4-(thiiran-2-ylmethylsulfonyl)phenoxy]phenyl]acetate CAS Name: 2-[4-[4-(2-thiiranylmethylsulfonyl)phenoxy]phenyl]acetic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl 2-[4-[4-(thiiran-2-ylmethylsulfonyl)phenoxy]phenyl]acetate Traditional Name: 2-[4-[4-(thiiran-2-ylmethylsulfonyl)phenoxy]phenyl]acetic acid 3-pyridylmethyl ester Formula: C23H21NO5S2 MolecularWeight: 455.54654

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Descriptors Computed from Structure

Canonical SMILES:

C1C(S1)CS(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)CC(=O)OCC4=CN=CC=C4

Isomeric SMILES

C1C(S1)CS(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)CC(=O)OCC4=CN=CC=C4

InChI

InChI=1S/C23H21NO5S2/c25-23(28-14-18-2-1-11-24-13-18)12-17-3-5-19(6-4-17)29-20-7-9-22(10-8-20)31(26,27)16-21-15-30-21/h1-11,13,21H,12,14-16H2