(6-bromanyl-1,3-benzodioxol-5-yl)methylidene-[2-[(4-methylphenyl)sulfonylamino]ethyl]azanium

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methylidene-[2-[(4-methylphenyl)sulfonylamino]ethyl]azanium Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methylene-[2-(p-tolylsulfonylamino)ethyl]ammonium CAS Name: (6-bromo-1,3-benzodioxol-5-yl)methylidene-[2-[(4-methylphenyl)sulfonylamino]ethyl]ammonium IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methylidene-[2-[(4-methylphenyl)sulfonylamino]ethyl]azanium Traditional Name: (6-bromo-1,3-benzodioxol-5-yl)methylene-[2-(tosylamino)ethyl]ammonium Formula: C17H18BrN2O4S+ MolecularWeight: 426.30482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC[NH+]=CC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC[NH+]=CC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C17H17BrN2O4S/c1-12-2-4-14(5-3-12)25(21,22)20-7-6-19-10-13-8-16-17(9-15(13)18)24-11-23-16/h2-5,8-10,20H,6-7,11H2,1H3/p+1