[2,5-bis(oxidanylidene)-3-(phenylmethyl)pyrrolidin-1-yl] propane-2-sulfonate

Systemtic Name: [2,5-bis(oxidanylidene)-3-(phenylmethyl)pyrrolidin-1-yl] propane-2-sulfonate Openeye Name: (3-benzyl-2,5-dioxo-pyrrolidin-1-yl) propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: (3-benzyl-2,5-dioxopyrrolidin-1-yl) propane-2-sulfonate Traditional Name: propane-2-sulfonic acid (3-benzyl-2,5-diketo-pyrrolidino) ester Formula: C14H17NO5S MolecularWeight: 311.35348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)ON1C(=O)CC(C1=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)S(=O)(=O)ON1C(=O)CC(C1=O)CC2=CC=CC=C2

InChI

InChI=1S/C14H17NO5S/c1-10(2)21(18,19)20-15-13(16)9-12(14(15)17)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3