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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC2=C(C=C1)C(=O)N(C2=O)OS(=O)(=O)C(C)C

Isomeric SMILES

CCNC1=CC2=C(C=C1)C(=O)N(C2=O)OS(=O)(=O)C(C)C

InChI

InChI=1S/C13H16N2O5S/c1-4-14-9-5-6-10-11(7-9)13(17)15(12(10)16)20-21(18,19)8(2)3/h5-8,14H,4H2,1-3H3