3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonyl-piperidine

Systemtic Name: 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonyl-piperidine Openeye Name: 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonyl-piperidine CAS Name: 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine IUPAC Name: 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine Traditional Name: 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonyl-piperidine Formula: C26H26FNO6S MolecularWeight: 499.551143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(C(C2)COC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)F

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(C(C2)COC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H26FNO6S/c1-31-21-6-9-23(10-7-21)35(29,30)28-13-12-24(18-2-4-20(27)5-3-18)19(15-28)16-32-22-8-11-25-26(14-22)34-17-33-25/h2-11,14,19,24H,12-13,15-17H2,1H3