[4-(pyridin-3-ylmethylsulfonyl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(pyridin-3-ylmethylsulfonyl)phenyl] 4-methylbenzenesulfonate Openeye Name: [4-(3-pyridylmethylsulfonyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(3-pyridinylmethylsulfonyl)phenyl] ester IUPAC Name: [4-(pyridin-3-ylmethylsulfonyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(3-pyridylmethylsulfonyl)phenyl] ester Formula: C19H17NO5S2 MolecularWeight: 403.47198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)S(=O)(=O)CC3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)S(=O)(=O)CC3=CN=CC=C3

InChI

InChI=1S/C19H17NO5S2/c1-15-4-8-19(9-5-15)27(23,24)25-17-6-10-18(11-7-17)26(21,22)14-16-3-2-12-20-13-16/h2-13H,14H2,1H3