N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]-1-indolyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide Traditional Name: 2-[3-(3-fluorobenzyl)sulfonylindol-1-yl]-N-piperonyl-acetamide Formula: C25H21FN2O5S MolecularWeight: 480.508043

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CN3C=C(C4=CC=CC=C43)S(=O)(=O)CC5=CC(=CC=C5)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CN3C=C(C4=CC=CC=C43)S(=O)(=O)CC5=CC(=CC=C5)F

InChI

InChI=1S/C25H21FN2O5S/c26-19-5-3-4-18(10-19)15-34(30,31)24-13-28(21-7-2-1-6-20(21)24)14-25(29)27-12-17-8-9-22-23(11-17)33-16-32-22/h1-11,13H,12,14-16H2,(H,27,29)