2-(4-bromophenyl)sulfonylethyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-ethyl-azanium

Systemtic Name: 2-(4-bromophenyl)sulfonylethyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-ethyl-azanium Openeye Name: 2-(4-bromophenyl)sulfonylethyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]-ethyl-ammonium CAS Name: 2-(4-bromophenyl)sulfonylethyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-ethylammonium IUPAC Name: 2-(4-bromophenyl)sulfonylethyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-ethylazanium Traditional Name: 2-brosylethyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]-ethyl-ammonium Formula: C20H24BrN2O5S+ MolecularWeight: 484.38396

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCS(=O)(=O)C1=CC=C(C=C1)Br)CC(=O)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC[NH+](CCS(=O)(=O)C1=CC=C(C=C1)Br)CC(=O)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H23BrN2O5S/c1-2-23(9-12-29(25,26)17-6-3-15(21)4-7-17)14-20(24)22-16-5-8-18-19(13-16)28-11-10-27-18/h3-8,13H,2,9-12,14H2,1H3,(H,22,24)/p+1