(3S)-N-[(4-dimethylaminophenyl)methyl]-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(4-dimethylaminophenyl)methyl]-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(4-dimethylaminophenyl)methyl]-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-[(4-dimethylaminophenyl)methyl]-1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(4-dimethylaminophenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[4-(dimethylamino)benzyl]-1-(4-fluorophenyl)sulfonyl-nipecotamide Formula: C21H26FN3O3S MolecularWeight: 419.512843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN3O3S/c1-24(2)19-9-5-16(6-10-19)14-23-21(26)17-4-3-13-25(15-17)29(27,28)20-11-7-18(22)8-12-20/h5-12,17H,3-4,13-15H2,1-2H3,(H,23,26)/t17-/m0/s1