N-[(3,4-dimethoxyphenyl)methyl]-4-fluoranyl-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-4-fluoranyl-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-4-fluoro-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-4-fluoro-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide Traditional Name: 4-fluoro-3-piperidinosulfonyl-N-veratryl-benzamide Formula: C21H25FN2O5S MolecularWeight: 436.497003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3)OC

InChI

InChI=1S/C21H25FN2O5S/c1-28-18-9-6-15(12-19(18)29-2)14-23-21(25)16-7-8-17(22)20(13-16)30(26,27)24-10-4-3-5-11-24/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,23,25)