N-[(3-fluoranyl-4-methyl-phenyl)methyl]-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[(3-fluoranyl-4-methyl-phenyl)methyl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[(3-fluoro-4-methyl-phenyl)methyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[(3-fluoro-4-methylphenyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-(3-fluoro-4-methyl-benzyl)isonipecotamide Formula: C20H23FN2O3S MolecularWeight: 390.471623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)F

InChI

InChI=1S/C20H23FN2O3S/c1-15-7-8-16(13-19(15)21)14-22-20(24)17-9-11-23(12-10-17)27(25,26)18-5-3-2-4-6-18/h2-8,13,17H,9-12,14H2,1H3,(H,22,24)