N-ethyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-ethyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-ethyl-N-[(3-fluoro-4-methoxy-phenyl)methyl]-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]acetamide CAS Name: N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]thio]acetamide IUPAC Name: N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylacetamide Traditional Name: N-ethyl-N-(3-fluoro-4-methoxy-benzyl)-2-[[5-(4-methylpiperazino)sulfonyl-2-pyridyl]thio]acetamide Formula: C22H29FN4O4S2 MolecularWeight: 496.618463

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)F)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)F)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

InChI

InChI=1S/C22H29FN4O4S2/c1-4-26(15-17-5-7-20(31-3)19(23)13-17)22(28)16-32-21-8-6-18(14-24-21)33(29,30)27-11-9-25(2)10-12-27/h5-8,13-14H,4,9-12,15-16H2,1-3H3