N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(4-fluorophenyl)ethyl]-4-morpholin-4-ylsulfonyl-benzenesulfonamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(4-fluorophenyl)ethyl]-4-morpholin-4-ylsulfonyl-benzenesulfonamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(4-fluorophenyl)ethyl]-4-morpholinosulfonyl-benzenesulfonamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(4-fluorophenyl)ethyl]-4-(4-morpholinylsulfonyl)benzenesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(4-fluorophenyl)ethyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide Traditional Name: N-[2-(4-fluorophenyl)ethyl]-4-morpholinosulfonyl-N-piperonyl-benzenesulfonamide Formula: C26H27FN2O7S2 MolecularWeight: 562.630183

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CCC3=CC=C(C=C3)F)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CCC3=CC=C(C=C3)F)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H27FN2O7S2/c27-22-4-1-20(2-5-22)11-12-29(18-21-3-10-25-26(17-21)36-19-35-25)38(32,33)24-8-6-23(7-9-24)37(30,31)28-13-15-34-16-14-28/h1-10,17H,11-16,18-19H2