pyrrolidin-2-ylmethyl 4-methylbenzenesulfonate

Systemtic Name: pyrrolidin-2-ylmethyl 4-methylbenzenesulfonate Openeye Name: pyrrolidin-2-ylmethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-pyrrolidinylmethyl ester IUPAC Name: pyrrolidin-2-ylmethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid pyrrolidin-2-ylmethyl ester Formula: C12H17NO3S MolecularWeight: 255.33328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCCN2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCCN2

InChI

InChI=1S/C12H17NO3S/c1-10-4-6-12(7-5-10)17(14,15)16-9-11-3-2-8-13-11/h4-7,11,13H,2-3,8-9H2,1H3