N'-(4-bromophenyl)-N-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethyl]ethanediamide

Systemtic Name: N'-(4-bromophenyl)-N-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethyl]ethanediamide Openeye Name: N-[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]ethyl]-N'-(4-bromophenyl)oxamide CAS Name: N-[2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]ethyl]-N'-(4-bromophenyl)oxamide IUPAC Name: N-[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]ethyl]-N'-(4-bromophenyl)oxamide Traditional Name: N-[2-(4-besylpiperazin-1-ium-1-yl)ethyl]-N'-(4-bromophenyl)oxamide Formula: C20H24BrN4O4S+ MolecularWeight: 496.39796

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)C(=O)NC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)C(=O)NC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H23BrN4O4S/c21-16-6-8-17(9-7-16)23-20(27)19(26)22-10-11-24-12-14-25(15-13-24)30(28,29)18-4-2-1-3-5-18/h1-9H,10-15H2,(H,22,26)(H,23,27)/p+1