2-[3-(6-bromanylnaphthalen-2-yl)sulfonyl-4-pyridin-4-yl-piperazin-1-yl]carbonyl-N-(2-ethylsulfanylethyl)benzamide

Systemtic Name: 2-[3-(6-bromanylnaphthalen-2-yl)sulfonyl-4-pyridin-4-yl-piperazin-1-yl]carbonyl-N-(2-ethylsulfanylethyl)benzamide Openeye Name: 2-[3-[(6-bromo-2-naphthyl)sulfonyl]-4-(4-pyridyl)piperazine-1-carbonyl]-N-(2-ethylsulfanylethyl)benzamide CAS Name: 2-[[3-[(6-bromo-2-naphthalenyl)sulfonyl]-4-pyridin-4-yl-1-piperazinyl]-oxomethyl]-N-[2-(ethylthio)ethyl]benzamide IUPAC Name: 2-[3-(6-bromonaphthalen-2-yl)sulfonyl-4-pyridin-4-ylpiperazine-1-carbonyl]-N-(2-ethylsulfanylethyl)benzamide Traditional Name: 2-[3-[(6-bromo-2-naphthyl)sulfonyl]-4-(4-pyridyl)piperazine-1-carbonyl]-N-[2-(ethylthio)ethyl]benzamide Formula: C31H31BrN4O4S2 MolecularWeight: 667.63624

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCNC(=O)C1=CC=CC=C1C(=O)N2CCN(C(C2)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Br)C5=CC=NC=C5

Isomeric SMILES

CCSCCNC(=O)C1=CC=CC=C1C(=O)N2CCN(C(C2)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Br)C5=CC=NC=C5

InChI

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