N'-(4-bromophenyl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]ethanediamide

Systemtic Name: N'-(4-bromophenyl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]ethanediamide Openeye Name: N'-(4-bromophenyl)-N-[2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]ethyl]oxamide CAS Name: N'-(4-bromophenyl)-N-[2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]oxamide IUPAC Name: N'-(4-bromophenyl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]oxamide Traditional Name: N'-(4-bromophenyl)-N-[2-(4-tosylpiperazin-1-ium-1-yl)ethyl]oxamide Formula: C21H26BrN4O4S+ MolecularWeight: 510.42454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCNC(=O)C(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCNC(=O)C(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H25BrN4O4S/c1-16-2-8-19(9-3-16)31(29,30)26-14-12-25(13-15-26)11-10-23-20(27)21(28)24-18-6-4-17(22)5-7-18/h2-9H,10-15H2,1H3,(H,23,27)(H,24,28)/p+1