4-fluoranyl-N-[3-[(2R,4S)-4-(phenylmethyl)piperidin-2-yl]propyl]benzenesulfonamide

Systemtic Name: 4-fluoranyl-N-[3-[(2R,4S)-4-(phenylmethyl)piperidin-2-yl]propyl]benzenesulfonamide Openeye Name: N-[3-[(2R,4S)-4-benzyl-2-piperidyl]propyl]-4-fluoro-benzenesulfonamide CAS Name: 4-fluoro-N-[3-[(2R,4S)-4-(phenylmethyl)-2-piperidinyl]propyl]benzenesulfonamide IUPAC Name: N-[3-[(2R,4S)-4-benzylpiperidin-2-yl]propyl]-4-fluorobenzenesulfonamide Traditional Name: N-[3-[(2R,4S)-4-benzyl-2-piperidyl]propyl]-4-fluoro-benzenesulfonamide Formula: C21H27FN2O2S MolecularWeight: 390.514683

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(CC1CC2=CC=CC=C2)CCCNS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN[C@@H](C[C@H]1CC2=CC=CC=C2)CCCNS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H27FN2O2S/c22-19-8-10-21(11-9-19)27(25,26)24-13-4-7-20-16-18(12-14-23-20)15-17-5-2-1-3-6-17/h1-3,5-6,8-11,18,20,23-24H,4,7,12-16H2/t18-,20-/m1/s1