N-(3-cyclohexylsulfanylpropyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-(3-fluorophenyl)amino]ethanamide

Systemtic Name: N-(3-cyclohexylsulfanylpropyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-(3-fluorophenyl)amino]ethanamide Openeye Name: N-(3-cyclohexylsulfanylpropyl)-2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-fluoro-anilino]acetamide CAS Name: N-[3-(cyclohexylthio)propyl]-2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-fluoroanilino]acetamide IUPAC Name: N-(3-cyclohexylsulfanylpropyl)-2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-fluoroanilino]acetamide Traditional Name: N-[3-(cyclohexylthio)propyl]-2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-fluoro-anilino]acetamide Formula: C25H31FN2O5S2 MolecularWeight: 522.652443

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCCCNC(=O)CN(C2=CC(=CC=C2)F)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCC(CC1)SCCCNC(=O)CN(C2=CC(=CC=C2)F)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C25H31FN2O5S2/c26-19-6-4-7-20(16-19)28(18-25(29)27-12-5-15-34-21-8-2-1-3-9-21)35(30,31)22-10-11-23-24(17-22)33-14-13-32-23/h4,6-7,10-11,16-17,21H,1-3,5,8-9,12-15,18H2,(H,27,29)