N-(4-ethyl-2,3,5,6-tetrahydro-1,7,4-benzodioxazonin-9-yl)methanesulfonamide; methanesulfonic acid

Systemtic Name: N-(4-ethyl-2,3,5,6-tetrahydro-1,7,4-benzodioxazonin-9-yl)methanesulfonamide; methanesulfonic acid Openeye Name: N-(4-ethyl-2,3,5,6-tetrahydro-1,7,4-benzodioxazonin-9-yl)methanesulfonamide; methanesulfonic acid CAS Name: N-(4-ethyl-2,3,5,6-tetrahydro-1,7,4-benzodioxazonin-9-yl)methanesulfonamide; methanesulfonic acid IUPAC Name: N-(4-ethyl-2,3,5,6-tetrahydro-1,7,4-benzodioxazonin-9-yl)methanesulfonamide; methanesulfonic acid Traditional Name: N-(4-ethyl-2,3,5,6-tetrahydro-1,7,4-benzodioxazonin-9-yl)methanesulfonamide; mesylic acid Formula: C14H24N2O7S2 MolecularWeight: 396.47956

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCOC2=C(C=C(C=C2)NS(=O)(=O)C)OCC1.CS(=O)(=O)O

Isomeric SMILES

CCN1CCOC2=C(C=C(C=C2)NS(=O)(=O)C)OCC1.CS(=O)(=O)O

InChI

InChI=1S/C13H20N2O4S.CH4O3S/c1-3-15-6-8-18-12-5-4-11(14-20(2,16)17)10-13(12)19-9-7-15;1-5(2,3)4/h4-5,10,14H,3,6-9H2,1-2H3;1H3,(H,2,3,4)