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

Systemtic Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-(3-fluorophenyl)amino]-N-(3-phenylsulfanylpropyl)ethanamide Openeye Name: 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-fluoro-anilino]-N-(3-phenylsulfanylpropyl)acetamide CAS Name: 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-fluoroanilino]-N-[3-(phenylthio)propyl]acetamide IUPAC Name: 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-fluoroanilino]-N-(3-phenylsulfanylpropyl)acetamide Traditional Name: 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-fluoro-anilino]-N-[3-(phenylthio)propyl]acetamide Formula: C25H25FN2O5S2 MolecularWeight: 516.604803

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N(CC(=O)NCCCSC3=CC=CC=C3)C4=CC(=CC=C4)F

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N(CC(=O)NCCCSC3=CC=CC=C3)C4=CC(=CC=C4)F

InChI

InChI=1S/C25H25FN2O5S2/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/h1-4,6-11,16-17H,5,12-15,18H2,(H,27,29)