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

Systemtic Name: [2,5-bis(oxidanylidene)-3-(phenylmethyl)pyrrolidin-1-yl] butane-1-sulfonate Openeye Name: (3-benzyl-2,5-dioxo-pyrrolidin-1-yl) butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: (3-benzyl-2,5-dioxopyrrolidin-1-yl) butane-1-sulfonate Traditional Name: butane-1-sulfonic acid (3-benzyl-2,5-diketo-pyrrolidino) ester Formula: C15H19NO5S MolecularWeight: 325.38006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)ON1C(=O)CC(C1=O)CC2=CC=CC=C2

Isomeric SMILES

CCCCS(=O)(=O)ON1C(=O)CC(C1=O)CC2=CC=CC=C2

InChI

InChI=1S/C15H19NO5S/c1-2-3-9-22(19,20)21-16-14(17)11-13(15(16)18)10-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3