(2-bromophenyl)methyl-methyl-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]azanium

Systemtic Name: (2-bromophenyl)methyl-methyl-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]azanium Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]-[(2-bromophenyl)methyl]-methyl-ammonium CAS Name: [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]-[(2-bromophenyl)methyl]-methylammonium IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-[(2-bromophenyl)methyl]-methylazanium Traditional Name: [2-(4-besylpiperazino)-2-keto-ethyl]-(2-bromobenzyl)-methyl-ammonium Formula: C20H25BrN3O3S+ MolecularWeight: 467.3998

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1Br)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1Br)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H24BrN3O3S/c1-22(15-17-7-5-6-10-19(17)21)16-20(25)23-11-13-24(14-12-23)28(26,27)18-8-3-2-4-9-18/h2-10H,11-16H2,1H3/p+1