2-[4-(pyridin-3-ylmethyl)phenoxy]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[4-(pyridin-3-ylmethyl)phenoxy]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[4-(3-pyridylmethyl)phenoxy]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[4-(3-pyridinylmethyl)phenoxy]ethyl ester IUPAC Name: 2-[4-(pyridin-3-ylmethyl)phenoxy]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[4-(3-pyridylmethyl)phenoxy]ethyl ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCOC2=CC=C(C=C2)CC3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCOC2=CC=C(C=C2)CC3=CN=CC=C3

InChI

InChI=1S/C21H21NO4S/c1-17-4-10-21(11-5-17)27(23,24)26-14-13-25-20-8-6-18(7-9-20)15-19-3-2-12-22-16-19/h2-12,16H,13-15H2,1H3