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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(2-fluorophenyl)ethyl]-4-piperidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(2-fluorophenyl)ethyl]-4-(1-piperidylsulfonyl)benzenesulfonamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(2-fluorophenyl)ethyl]-4-(1-piperidinylsulfonyl)benzenesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(2-fluorophenyl)ethyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-[2-(2-fluorophenyl)ethyl]-4-piperidinosulfonyl-N-piperonyl-benzenesulfonamide Formula: C27H29FN2O6S2 MolecularWeight: 560.657363

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CCC3=CC=CC=C3F)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CCC3=CC=CC=C3F)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H29FN2O6S2/c28-25-7-3-2-6-22(25)14-17-30(19-21-8-13-26-27(18-21)36-20-35-26)38(33,34)24-11-9-23(10-12-24)37(31,32)29-15-4-1-5-16-29/h2-3,6-13,18H,1,4-5,14-17,19-20H2