[(2-oxidanylidenepyrrolidin-1-yl)-phenyl-methyl] 4-methylbenzenesulfonate

Systemtic Name: [(2-oxidanylidenepyrrolidin-1-yl)-phenyl-methyl] 4-methylbenzenesulfonate Openeye Name: [(2-oxopyrrolidin-1-yl)-phenyl-methyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2-oxo-1-pyrrolidinyl)-phenylmethyl] ester IUPAC Name: [(2-oxopyrrolidin-1-yl)-phenylmethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2-ketopyrrolidino)-phenyl-methyl] ester Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C2=CC=CC=C2)N3CCCC3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C2=CC=CC=C2)N3CCCC3=O

InChI

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