(3S)-1-(4-bromophenyl)sulfonyl-N-[(4-fluoranyl-3-methyl-phenyl)methyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-bromophenyl)sulfonyl-N-[(4-fluoranyl-3-methyl-phenyl)methyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(4-bromophenyl)sulfonyl-N-[(4-fluoro-3-methyl-phenyl)methyl]piperidine-3-carboxamide CAS Name: (3S)-1-(4-bromophenyl)sulfonyl-N-[(4-fluoro-3-methylphenyl)methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-bromophenyl)sulfonyl-N-[(4-fluoro-3-methylphenyl)methyl]piperidine-3-carboxamide Traditional Name: (3S)-1-brosyl-N-(4-fluoro-3-methyl-benzyl)nipecotamide Formula: C20H22BrFN2O3S MolecularWeight: 469.367683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br)F

Isomeric SMILES

CC1=C(C=CC(=C1)CNC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br)F

InChI

InChI=1S/C20H22BrFN2O3S/c1-14-11-15(4-9-19(14)22)12-23-20(25)16-3-2-10-24(13-16)28(26,27)18-7-5-17(21)6-8-18/h4-9,11,16H,2-3,10,12-13H2,1H3,(H,23,25)/t16-/m0/s1