N-[[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperidin-3-yl]methyl]-4-methoxy-benzenesulfonamide

Systemtic Name: N-[[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperidin-3-yl]methyl]-4-methoxy-benzenesulfonamide Openeye Name: N-[[1-[(2-chloro-4-fluoro-phenyl)methyl]-3-piperidyl]methyl]-4-methoxy-benzenesulfonamide CAS Name: N-[[1-[(2-chloro-4-fluorophenyl)methyl]-3-piperidinyl]methyl]-4-methoxybenzenesulfonamide IUPAC Name: N-[[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide Traditional Name: N-[[1-(2-chloro-4-fluoro-benzyl)-3-piperidyl]methyl]-4-methoxy-benzenesulfonamide Formula: C20H24ClFN2O3S MolecularWeight: 426.932563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C20H24ClFN2O3S/c1-27-18-6-8-19(9-7-18)28(25,26)23-12-15-3-2-10-24(13-15)14-16-4-5-17(22)11-20(16)21/h4-9,11,15,23H,2-3,10,12-14H2,1H3