2-pyrrolidin-1-ylethyl 4-methylbenzenesulfonate

Systemtic Name: 2-pyrrolidin-1-ylethyl 4-methylbenzenesulfonate Openeye Name: 2-pyrrolidin-1-ylethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(1-pyrrolidinyl)ethyl ester IUPAC Name: 2-pyrrolidin-1-ylethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-pyrrolidinoethyl ester Formula: C13H19NO3S MolecularWeight: 269.35986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCN2CCCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCN2CCCC2

InChI

InChI=1S/C13H19NO3S/c1-12-4-6-13(7-5-12)18(15,16)17-11-10-14-8-2-3-9-14/h4-7H,2-3,8-11H2,1H3