(5-bromanylthiophen-2-yl)methyl-ethyl-[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-ethyl-[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (5-bromo-2-thienyl)methyl-ethyl-[2-(3-methylsulfonylanilino)-2-oxo-ethyl]ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-ethyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]ammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-ethyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium Traditional Name: (5-bromo-2-thienyl)methyl-ethyl-[2-keto-2-(3-mesylanilino)ethyl]ammonium Formula: C16H20BrN2O3S2+ MolecularWeight: 432.3756

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=C(S1)Br)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)C

Isomeric SMILES

CC[NH+](CC1=CC=C(S1)Br)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C16H19BrN2O3S2/c1-3-19(10-13-7-8-15(17)23-13)11-16(20)18-12-5-4-6-14(9-12)24(2,21)22/h4-9H,3,10-11H2,1-2H3,(H,18,20)/p+1