[1-(phenylmethyl)pyrrolidin-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [1-(phenylmethyl)pyrrolidin-2-yl] 4-methylbenzenesulfonate Openeye Name: (1-benzylpyrrolidin-2-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-(phenylmethyl)-2-pyrrolidinyl] ester IUPAC Name: (1-benzylpyrrolidin-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-benzylpyrrolidin-2-yl) ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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