1-[1-(phenylmethyl)pyrrolidin-3-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 1-[1-(phenylmethyl)pyrrolidin-3-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 1-(1-benzylpyrrolidin-3-yl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-[1-(phenylmethyl)-3-pyrrolidinyl]ethyl ester IUPAC Name: 1-(1-benzylpyrrolidin-3-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-(1-benzylpyrrolidin-3-yl)ethyl ester Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C2CCN(C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C2CCN(C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H25NO3S/c1-16-8-10-20(11-9-16)25(22,23)24-17(2)19-12-13-21(15-19)14-18-6-4-3-5-7-18/h3-11,17,19H,12-15H2,1-2H3