pyrrolidin-1-ylmethyl 4-methylbenzenesulfonate

Systemtic Name: pyrrolidin-1-ylmethyl 4-methylbenzenesulfonate Openeye Name: pyrrolidin-1-ylmethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-pyrrolidinylmethyl ester IUPAC Name: pyrrolidin-1-ylmethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid pyrrolidinomethyl ester Formula: C12H17NO3S MolecularWeight: 255.33328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCN2CCCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCN2CCCC2

InChI

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