[4-(methylamino)-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl] benzenesulfonate

Systemtic Name: [4-(methylamino)-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl] benzenesulfonate Openeye Name: [4-(methylamino)-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl] benzenesulfonate CAS Name: benzenesulfonic acid [4-(methylamino)-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl] ester IUPAC Name: [4-(methylamino)-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-(methylamino)-4,5,6,7-tetrahydroindoxazen-3-yl] ester Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

CNC1CCCC2=C1C(=NO2)OS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CNC1CCCC2=C1C(=NO2)OS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C14H16N2O4S/c1-15-11-8-5-9-12-13(11)14(16-19-12)20-21(17,18)10-6-3-2-4-7-10/h2-4,6-7,11,15H,5,8-9H2,1H3