benzenesulfonic acid; 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine

Systemtic Name: benzenesulfonic acid; 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine Openeye Name: benzenesulfonic acid; 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine CAS Name: benzenesulfonic acid; 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine IUPAC Name: benzenesulfonic acid; 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine Traditional Name: 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine; besylic acid Formula: C25H26FNO6S MolecularWeight: 487.540443

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C19H20FNO3.C6H6O3S/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18;7-10(8,9)6-4-2-1-3-5-6/h1-6,9,14,17,21H,7-8,10-12H2;1-5H,(H,7,8,9)