(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-methyl-[(1S)-1-(4-sulfamoylphenyl)ethyl]azanium

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-methyl-[(1S)-1-(4-sulfamoylphenyl)ethyl]azanium Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-methyl-[(1S)-1-(4-sulfamoylphenyl)ethyl]ammonium CAS Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-methyl-[(1S)-1-(4-sulfamoylphenyl)ethyl]ammonium IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-methyl-[(1S)-1-(4-sulfamoylphenyl)ethyl]azanium Traditional Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-methyl-[(1S)-1-(4-sulfamoylphenyl)ethyl]ammonium Formula: C18H22BrN2O4S+ MolecularWeight: 442.34728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)N)[NH+](C)CC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)S(=O)(=O)N)[NH+](C)CC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C18H21BrN2O4S/c1-12(13-3-5-15(6-4-13)26(20,22)23)21(2)11-14-9-17-18(10-16(14)19)25-8-7-24-17/h3-6,9-10,12H,7-8,11H2,1-2H3,(H2,20,22,23)/p+1/t12-/m0/s1