N-(4-fluorophenyl)-2-[2-[(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[2-[(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-ethanamide Openeye Name: N-(4-fluorophenyl)-2-[2-[2-methoxy-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]sulfanyl-acetamide CAS Name: N-(4-fluorophenyl)-2-[[2-[2-methoxy-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]thio]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]sulfanylacetamide Traditional Name: N-(4-fluorophenyl)-2-[[2-keto-2-(2-methoxy-5-piperidinosulfonyl-anilino)ethyl]thio]acetamide Formula: C22H26FN3O5S2 MolecularWeight: 495.587343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSCC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSCC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FN3O5S2/c1-31-20-10-9-18(33(29,30)26-11-3-2-4-12-26)13-19(20)25-22(28)15-32-14-21(27)24-17-7-5-16(23)6-8-17/h5-10,13H,2-4,11-12,14-15H2,1H3,(H,24,27)(H,25,28)