N-[(2S)-butan-2-yl]-1-(5-fluoranyl-2-methoxy-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2S)-butan-2-yl]-1-(5-fluoranyl-2-methoxy-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(5-fluoro-2-methoxy-phenyl)sulfonyl-N-[(1S)-1-methylpropyl]piperidine-4-carboxamide CAS Name: N-[(2S)-butan-2-yl]-1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-butan-2-yl]-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-(5-fluoro-2-methoxy-phenyl)sulfonyl-N-[(1S)-1-methylpropyl]isonipecotamide Formula: C17H25FN2O4S MolecularWeight: 372.454803

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)F)OC

Isomeric SMILES

CC[C@H](C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)F)OC

InChI

InChI=1S/C17H25FN2O4S/c1-4-12(2)19-17(21)13-7-9-20(10-8-13)25(22,23)16-11-14(18)5-6-15(16)24-3/h5-6,11-13H,4,7-10H2,1-3H3,(H,19,21)/t12-/m0/s1