N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-fluoranyl-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-fluoranyl-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-fluoro-3-morpholinosulfonyl-benzamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-fluoro-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide Traditional Name: 4-fluoro-N-homopiperonyl-3-morpholinosulfonyl-benzamide Formula: C20H21FN2O6S MolecularWeight: 436.453943

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCC3=CC4=C(C=C3)OCO4)F

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCC3=CC4=C(C=C3)OCO4)F

InChI

InChI=1S/C20H21FN2O6S/c21-16-3-2-15(12-19(16)30(25,26)23-7-9-27-10-8-23)20(24)22-6-5-14-1-4-17-18(11-14)29-13-28-17/h1-4,11-12H,5-10,13H2,(H,22,24)