[5-(ethylamino)-1,3-bis(oxidanylidene)isoindol-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [5-(ethylamino)-1,3-bis(oxidanylidene)isoindol-2-yl] 4-methylbenzenesulfonate Openeye Name: [5-(ethylamino)-1,3-dioxo-isoindolin-2-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-(ethylamino)-1,3-dioxo-2-isoindolyl] ester IUPAC Name: [5-(ethylamino)-1,3-dioxoisoindol-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-(ethylamino)-1,3-diketo-isoindolin-2-yl] ester Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC2=C(C=C1)C(=O)N(C2=O)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCNC1=CC2=C(C=C1)C(=O)N(C2=O)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C17H16N2O5S/c1-3-18-12-6-9-14-15(10-12)17(21)19(16(14)20)24-25(22,23)13-7-4-11(2)5-8-13/h4-10,18H,3H2,1-2H3