N-(3-cyclohexylsulfanylpropyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-fluorophenyl)amino]ethanamide

Systemtic Name: N-(3-cyclohexylsulfanylpropyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-fluorophenyl)amino]ethanamide Openeye Name: N-(3-cyclohexylsulfanylpropyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoro-anilino)acetamide CAS Name: N-[3-(cyclohexylthio)propyl]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide IUPAC Name: N-(3-cyclohexylsulfanylpropyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide Traditional Name: N-[3-(cyclohexylthio)propyl]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoro-anilino)acetamide Formula: C25H33FN2O5S2 MolecularWeight: 524.668323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NCCCSC2CCCCC2)C3=CC=CC=C3F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NCCCSC2CCCCC2)C3=CC=CC=C3F)OC

InChI

InChI=1S/C25H33FN2O5S2/c1-32-23-14-13-20(17-24(23)33-2)35(30,31)28(22-12-7-6-11-21(22)26)18-25(29)27-15-8-16-34-19-9-4-3-5-10-19/h6-7,11-14,17,19H,3-5,8-10,15-16,18H2,1-2H3,(H,27,29)