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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[3-(2-fluorophenyl)propyl]-4-morpholin-4-ylsulfonyl-benzenesulfonamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[3-(2-fluorophenyl)propyl]-4-morpholinosulfonyl-benzenesulfonamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[3-(2-fluorophenyl)propyl]-4-(4-morpholinylsulfonyl)benzenesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[3-(2-fluorophenyl)propyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide Traditional Name: N-[3-(2-fluorophenyl)propyl]-4-morpholinosulfonyl-N-piperonyl-benzenesulfonamide Formula: C27H29FN2O7S2 MolecularWeight: 576.656763

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CCCC3=CC=CC=C3F)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CCCC3=CC=CC=C3F)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H29FN2O7S2/c28-25-6-2-1-4-22(25)5-3-13-30(19-21-7-12-26-27(18-21)37-20-36-26)39(33,34)24-10-8-23(9-11-24)38(31,32)29-14-16-35-17-15-29/h1-2,4,6-12,18H,3,5,13-17,19-20H2