methyl 2-[4-(6-bromanylnaphthalen-2-yl)sulfonyl-4-pyridin-4-yl-piperazin-4-ium-1-yl]carbonylbenzoate

Systemtic Name: methyl 2-[4-(6-bromanylnaphthalen-2-yl)sulfonyl-4-pyridin-4-yl-piperazin-4-ium-1-yl]carbonylbenzoate Openeye Name: methyl 2-[4-[(6-bromo-2-naphthyl)sulfonyl]-4-(4-pyridyl)piperazin-4-ium-1-carbonyl]benzoate CAS Name: 2-[[4-[(6-bromo-2-naphthalenyl)sulfonyl]-4-pyridin-4-yl-1-piperazin-4-iumyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(6-bromonaphthalen-2-yl)sulfonyl-4-pyridin-4-ylpiperazin-4-ium-1-carbonyl]benzoate Traditional Name: 2-[4-[(6-bromo-2-naphthyl)sulfonyl]-4-(4-pyridyl)piperazin-4-ium-1-carbonyl]benzoic acid methyl ester Formula: C28H25BrN3O5S+ MolecularWeight: 595.4842

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Descriptors Computed from Structure

Canonical SMILES:

COC(=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

COC(=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/C28H25BrN3O5S/c1-37-28(34)26-5-3-2-4-25(26)27(33)31-14-16-32(17-15-31,23-10-12-30-13-11-23)38(35,36)24-9-7-20-18-22(29)8-6-21(20)19-24/h2-13,18-19H,14-17H2,1H3/q+1