piperidin-1-ylmethyl 4-methylbenzenesulfonate

Systemtic Name: piperidin-1-ylmethyl 4-methylbenzenesulfonate Openeye Name: 1-piperidylmethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-piperidinylmethyl ester IUPAC Name: piperidin-1-ylmethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid piperidinomethyl ester Formula: C13H19NO3S MolecularWeight: 269.35986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCN2CCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCN2CCCCC2

InChI

InChI=1S/C13H19NO3S/c1-12-5-7-13(8-6-12)18(15,16)17-11-14-9-3-2-4-10-14/h5-8H,2-4,9-11H2,1H3