N-[2-[(2S)-butan-2-yl]phenyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-[(2S)-butan-2-yl]phenyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(4-fluorophenyl)sulfonyl-N-[2-[(1S)-1-methylpropyl]phenyl]piperidine-4-carboxamide CAS Name: N-[2-[(2S)-butan-2-yl]phenyl]-1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-[(2S)-butan-2-yl]phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-(4-fluorophenyl)sulfonyl-N-[2-[(1S)-1-methylpropyl]phenyl]isonipecotamide Formula: C22H27FN2O3S MolecularWeight: 418.524783

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H27FN2O3S/c1-3-16(2)20-6-4-5-7-21(20)24-22(26)17-12-14-25(15-13-17)29(27,28)19-10-8-18(23)9-11-19/h4-11,16-17H,3,12-15H2,1-2H3,(H,24,26)/t16-/m0/s1