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

Systemtic Name: [5-oxidanylidene-1-(phenylmethyl)pyrrolidin-3-yl] 4-methylbenzenesulfonate Openeye Name: (1-benzyl-5-oxo-pyrrolidin-3-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-oxo-1-(phenylmethyl)-3-pyrrolidinyl] ester IUPAC Name: (1-benzyl-5-oxopyrrolidin-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-benzyl-5-keto-pyrrolidin-3-yl) ester Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CC(=O)N(C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CC(=O)N(C2)CC3=CC=CC=C3

InChI

InChI=1S/C18H19NO4S/c1-14-7-9-17(10-8-14)24(21,22)23-16-11-18(20)19(13-16)12-15-5-3-2-4-6-15/h2-10,16H,11-13H2,1H3