N-[(4-bromophenyl)methyl]-4-ethyl-N-(4-methylphenyl)sulfonyl-piperazin-4-ium-1-carboxamide

Systemtic Name: N-[(4-bromophenyl)methyl]-4-ethyl-N-(4-methylphenyl)sulfonyl-piperazin-4-ium-1-carboxamide Openeye Name: N-[(4-bromophenyl)methyl]-4-ethyl-N-(p-tolylsulfonyl)piperazin-4-ium-1-carboxamide CAS Name: N-[(4-bromophenyl)methyl]-4-ethyl-N-(4-methylphenyl)sulfonyl-1-piperazin-4-iumcarboxamide IUPAC Name: N-[(4-bromophenyl)methyl]-4-ethyl-N-(4-methylphenyl)sulfonylpiperazin-4-ium-1-carboxamide Traditional Name: N-(4-bromobenzyl)-4-ethyl-N-tosyl-piperazin-4-ium-1-carboxamide Formula: C21H27BrN3O3S+ MolecularWeight: 481.42638

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)N(CC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)N(CC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H26BrN3O3S/c1-3-23-12-14-24(15-13-23)21(26)25(16-18-6-8-19(22)9-7-18)29(27,28)20-10-4-17(2)5-11-20/h4-11H,3,12-16H2,1-2H3/p+1