(6,7-dihydro-2,1,3-benzoxadiazol-4-ylamino) 4-methylbenzenesulfonate

Systemtic Name: (6,7-dihydro-2,1,3-benzoxadiazol-4-ylamino) 4-methylbenzenesulfonate Openeye Name: (6,7-dihydro-2,1,3-benzoxadiazol-4-ylamino) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6,7-dihydro-2,1,3-benzoxadiazol-4-ylamino) ester IUPAC Name: (6,7-dihydro-2,1,3-benzoxadiazol-4-ylamino) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6,7-dihydrobenzofurazan-4-ylamino) ester Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ONC2=CCCC3=NON=C32

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ONC2=CCCC3=NON=C32

InChI

InChI=1S/C13H13N3O4S/c1-9-5-7-10(8-6-9)21(17,18)20-15-12-4-2-3-11-13(12)16-19-14-11/h4-8,15H,2-3H2,1H3