4-(6-bromanylnaphthalen-2-yl)sulfonyl-N-(2-ethylsulfanylethyl)-2-(4-pyridin-4-ylpiperazin-1-yl)carbonyl-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCNC(=O)C1=C(C=C(C=C1)S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Br)C(=O)N4CCN(CC4)C5=CC=NC=C5

Isomeric SMILES

CCSCCNC(=O)C1=C(C=C(C=C1)S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Br)C(=O)N4CCN(CC4)C5=CC=NC=C5

InChI

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