(3S)-1-(5-fluoranyl-2-methoxy-phenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(5-fluoranyl-2-methoxy-phenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(5-fluoro-2-methoxy-phenyl)sulfonyl-N-(4-pyridylmethyl)piperidine-3-carboxamide CAS Name: (3S)-1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(5-fluoro-2-methoxy-phenyl)sulfonyl-N-(4-pyridylmethyl)nipecotamide Formula: C19H22FN3O4S MolecularWeight: 407.459083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=NC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)F)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C19H22FN3O4S/c1-27-17-5-4-16(20)11-18(17)28(25,26)23-10-2-3-15(13-23)19(24)22-12-14-6-8-21-9-7-14/h4-9,11,15H,2-3,10,12-13H2,1H3,(H,22,24)/t15-/m0/s1