2-[4-(6-bromanylnaphthalen-2-yl)sulfonyl-4-pyridin-4-yl-piperazin-4-ium-1-yl]carbonyl-N-(2-ethylsulfanylethyl)benzamide

Systemtic Name: 2-[4-(6-bromanylnaphthalen-2-yl)sulfonyl-4-pyridin-4-yl-piperazin-4-ium-1-yl]carbonyl-N-(2-ethylsulfanylethyl)benzamide Openeye Name: 2-[4-[(6-bromo-2-naphthyl)sulfonyl]-4-(4-pyridyl)piperazin-4-ium-1-carbonyl]-N-(2-ethylsulfanylethyl)benzamide CAS Name: 2-[[4-[(6-bromo-2-naphthalenyl)sulfonyl]-4-pyridin-4-yl-1-piperazin-4-iumyl]-oxomethyl]-N-[2-(ethylthio)ethyl]benzamide IUPAC Name: 2-[4-(6-bromonaphthalen-2-yl)sulfonyl-4-pyridin-4-ylpiperazin-4-ium-1-carbonyl]-N-(2-ethylsulfanylethyl)benzamide Traditional Name: 2-[4-[(6-bromo-2-naphthyl)sulfonyl]-4-(4-pyridyl)piperazin-4-ium-1-carbonyl]-N-[2-(ethylthio)ethyl]benzamide Formula: C31H32BrN4O4S2+ MolecularWeight: 668.64418

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCNC(=O)C1=CC=CC=C1C(=O)N2CC[N+](CC2)(C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Br

Isomeric SMILES

CCSCCNC(=O)C1=CC=CC=C1C(=O)N2CC[N+](CC2)(C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Br

InChI

InChI=1S/C31H31BrN4O4S2/c1-2-41-20-15-34-30(37)28-5-3-4-6-29(28)31(38)35-16-18-36(19-17-35,26-11-13-33-14-12-26)42(39,40)27-10-8-23-21-25(32)9-7-24(23)22-27/h3-14,21-22H,2,15-20H2,1H3/p+1