[2-(6-acetamidopyridin-3-yl)-2-oxidanyl-ethyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(6-acetamidopyridin-3-yl)-2-oxidanyl-ethyl] 4-methylbenzenesulfonate Openeye Name: [2-(6-acetamido-3-pyridyl)-2-hydroxy-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(6-acetamido-3-pyridinyl)-2-hydroxyethyl] ester IUPAC Name: [2-(6-acetamidopyridin-3-yl)-2-hydroxyethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(6-acetamido-3-pyridyl)-2-hydroxy-ethyl] ester Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C2=CN=C(C=C2)NC(=O)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C2=CN=C(C=C2)NC(=O)C)O

InChI

InChI=1S/C16H18N2O5S/c1-11-3-6-14(7-4-11)24(21,22)23-10-15(20)13-5-8-16(17-9-13)18-12(2)19/h3-9,15,20H,10H2,1-2H3,(H,17,18,19)