(2-bromophenyl)methyl-[2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (2-bromophenyl)methyl-[2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (2-bromophenyl)methyl-[2-(2-chloro-5-methylsulfonyl-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (2-bromophenyl)methyl-[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl]-methylammonium IUPAC Name: (2-bromophenyl)methyl-[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl]-methylazanium Traditional Name: (2-bromobenzyl)-[2-(2-chloro-5-mesyl-anilino)-2-keto-ethyl]-methyl-ammonium Formula: C17H19BrClN2O3S+ MolecularWeight: 446.76636

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1Br)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl

Isomeric SMILES

C[NH+](CC1=CC=CC=C1Br)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C17H18BrClN2O3S/c1-21(10-12-5-3-4-6-14(12)18)11-17(22)20-16-9-13(25(2,23)24)7-8-15(16)19/h3-9H,10-11H2,1-2H3,(H,20,22)/p+1