[5-(dimethylamino)-1,3-bis(oxidanylidene)isoindol-2-yl] propane-2-sulfonate

Systemtic Name: [5-(dimethylamino)-1,3-bis(oxidanylidene)isoindol-2-yl] propane-2-sulfonate Openeye Name: [5-(dimethylamino)-1,3-dioxo-isoindolin-2-yl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [5-(dimethylamino)-1,3-dioxoisoindol-2-yl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-(dimethylamino)-1,3-diketo-isoindolin-2-yl] ester Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5S/c1-8(2)21(18,19)20-15-12(16)10-6-5-9(14(3)4)7-11(10)13(15)17/h5-8H,1-4H3