4-(1,3-benzodioxol-5-ylmethyl)-1-(5-fluoranyl-2-methyl-phenyl)sulfonyl-piperidine

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-(5-fluoranyl-2-methyl-phenyl)sulfonyl-piperidine Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-(5-fluoro-2-methyl-phenyl)sulfonyl-piperidine CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine Traditional Name: 1-(5-fluoro-2-methyl-phenyl)sulfonyl-4-piperonyl-piperidine Formula: C20H22FNO4S MolecularWeight: 391.456383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)S(=O)(=O)N2CCC(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C=C(C=C1)F)S(=O)(=O)N2CCC(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22FNO4S/c1-14-2-4-17(21)12-20(14)27(23,24)22-8-6-15(7-9-22)10-16-3-5-18-19(11-16)26-13-25-18/h2-5,11-12,15H,6-10,13H2,1H3