1-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-(3-fluoranyl-4-methoxy-phenyl)ethanone

Systemtic Name: 1-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-(3-fluoranyl-4-methoxy-phenyl)ethanone Openeye Name: 1-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]-2-(3-fluoro-4-methoxy-phenyl)ethanone CAS Name: 1-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-2-(3-fluoro-4-methoxyphenyl)ethanone IUPAC Name: 1-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone Traditional Name: 1-[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]-2-(3-fluoro-4-methoxy-phenyl)ethanone Formula: C17H18BrFN2O4S2 MolecularWeight: 477.368223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br)F

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br)F

InChI

InChI=1S/C17H18BrFN2O4S2/c1-25-14-3-2-12(10-13(14)19)11-16(22)20-6-8-21(9-7-20)27(23,24)17-5-4-15(18)26-17/h2-5,10H,6-9,11H2,1H3