2-[4-bromanyl-1-(phenylcarbonyl)pyrrolidin-3-yl]oxyethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[4-bromanyl-1-(phenylcarbonyl)pyrrolidin-3-yl]oxyethyl 4-methylbenzenesulfonate Openeye Name: 2-(1-benzoyl-4-bromo-pyrrolidin-3-yl)oxyethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[(1-benzoyl-4-bromo-3-pyrrolidinyl)oxy]ethyl ester IUPAC Name: 2-(1-benzoyl-4-bromopyrrolidin-3-yl)oxyethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(1-benzoyl-4-bromo-pyrrolidin-3-yl)oxyethyl ester Formula: C20H22BrNO5S MolecularWeight: 468.36138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCOC2CN(CC2Br)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCOC2CN(CC2Br)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22BrNO5S/c1-15-7-9-17(10-8-15)28(24,25)27-12-11-26-19-14-22(13-18(19)21)20(23)16-5-3-2-4-6-16/h2-10,18-19H,11-14H2,1H3