[1-(phenylmethyl)pyrrolidin-2-yl] 3-methylbenzenesulfonate

Systemtic Name: [1-(phenylmethyl)pyrrolidin-2-yl] 3-methylbenzenesulfonate Openeye Name: (1-benzylpyrrolidin-2-yl) 3-methylbenzenesulfonate CAS Name: 3-methylbenzenesulfonic acid [1-(phenylmethyl)-2-pyrrolidinyl] ester IUPAC Name: (1-benzylpyrrolidin-2-yl) 3-methylbenzenesulfonate Traditional Name: 3-methylbenzenesulfonic acid (1-benzylpyrrolidin-2-yl) ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)OC2CCCN2CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)OC2CCCN2CC3=CC=CC=C3

InChI

InChI=1S/C18H21NO3S/c1-15-7-5-10-17(13-15)23(20,21)22-18-11-6-12-19(18)14-16-8-3-2-4-9-16/h2-5,7-10,13,18H,6,11-12,14H2,1H3