(4-bromophenyl)methyl-methyl-[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (4-bromophenyl)methyl-methyl-[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (4-bromophenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxo-ethyl]ammonium CAS Name: (4-bromophenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]ammonium IUPAC Name: (4-bromophenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium Traditional Name: (4-bromobenzyl)-[2-keto-2-(3-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=C2)S(=O)(=O)C

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)Br)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)C

InChI

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