(1-methanoylpiperidin-3-yl) 4-methylbenzenesulfonate

Systemtic Name: (1-methanoylpiperidin-3-yl) 4-methylbenzenesulfonate Openeye Name: (1-formyl-3-piperidyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-formyl-3-piperidinyl) ester IUPAC Name: (1-formylpiperidin-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-formyl-3-piperidyl) ester Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCN(C2)C=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCN(C2)C=O

InChI

InChI=1S/C13H17NO4S/c1-11-4-6-13(7-5-11)19(16,17)18-12-3-2-8-14(9-12)10-15/h4-7,10,12H,2-3,8-9H2,1H3