2-[(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]ethanesulfonamide

Systemtic Name: 2-[(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]ethanesulfonamide Openeye Name: 2-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]ethanesulfonamide CAS Name: 2-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]ethanesulfonamide IUPAC Name: 2-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]ethanesulfonamide Traditional Name: 2-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]ethanesulfonamide Formula: C12H17BrN2O4S MolecularWeight: 365.24338

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNCCS(=O)(=O)N)Br)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNCCS(=O)(=O)N)Br)OC1

InChI

InChI=1S/C12H17BrN2O4S/c13-10-6-9(8-15-2-5-20(14,16)17)7-11-12(10)19-4-1-3-18-11/h6-7,15H,1-5,8H2,(H2,14,16,17)