3-(3-fluoranyl-4-methoxy-phenyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide

Systemtic Name: 3-(3-fluoranyl-4-methoxy-phenyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide Openeye Name: 3-(3-fluoro-4-methoxy-phenyl)-N-[2-[4-(2-pyridyl)piperazin-1-yl]sulfonylethyl]propanamide CAS Name: 3-(3-fluoro-4-methoxyphenyl)-N-[2-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]ethyl]propanamide IUPAC Name: 3-(3-fluoro-4-methoxyphenyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide Traditional Name: 3-(3-fluoro-4-methoxy-phenyl)-N-[2-[4-(2-pyridyl)piperazino]sulfonylethyl]propionamide Formula: C21H27FN4O4S MolecularWeight: 450.526883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=N3)F

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=N3)F

InChI

InChI=1S/C21H27FN4O4S/c1-30-19-7-5-17(16-18(19)22)6-8-21(27)24-10-15-31(28,29)26-13-11-25(12-14-26)20-4-2-3-9-23-20/h2-5,7,9,16H,6,8,10-15H2,1H3,(H,24,27)