(4-bromophenyl)methyl-methyl-[2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (4-bromophenyl)methyl-methyl-[2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (4-bromophenyl)methyl-methyl-[2-(2-methylsulfonylanilino)-2-oxo-ethyl]ammonium CAS Name: (4-bromophenyl)methyl-methyl-[2-(2-methylsulfonylanilino)-2-oxoethyl]ammonium IUPAC Name: (4-bromophenyl)methyl-methyl-[2-(2-methylsulfonylanilino)-2-oxoethyl]azanium Traditional Name: (4-bromobenzyl)-[2-keto-2-(2-mesylanilino)ethyl]-methyl-ammonium Formula: C17H20BrN2O3S+ MolecularWeight: 412.3213

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)Br)CC(=O)NC2=CC=CC=C2S(=O)(=O)C

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)Br)CC(=O)NC2=CC=CC=C2S(=O)(=O)C

InChI

InChI=1S/C17H19BrN2O3S/c1-20(11-13-7-9-14(18)10-8-13)12-17(21)19-15-5-3-4-6-16(15)24(2,22)23/h3-10H,11-12H2,1-2H3,(H,19,21)/p+1