1-(3-ethanoylphenyl)sulfonyl-N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]piperidine-4-carboxamide

Systemtic Name: 1-(3-ethanoylphenyl)sulfonyl-N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]piperidine-4-carboxamide Openeye Name: 1-(3-acetylphenyl)sulfonyl-N-[(4S)-6-fluorothiochroman-4-yl]piperidine-4-carboxamide CAS Name: 1-(3-acetylphenyl)sulfonyl-N-[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-4-piperidinecarboxamide IUPAC Name: 1-(3-acetylphenyl)sulfonyl-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]piperidine-4-carboxamide Traditional Name: 1-(3-acetylphenyl)sulfonyl-N-[(4S)-6-fluorothiochroman-4-yl]isonipecotamide Formula: C23H25FN2O4S2 MolecularWeight: 476.584003

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCSC4=C3C=C(C=C4)F

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@H]3CCSC4=C3C=C(C=C4)F

InChI

InChI=1S/C23H25FN2O4S2/c1-15(27)17-3-2-4-19(13-17)32(29,30)26-10-7-16(8-11-26)23(28)25-21-9-12-31-22-6-5-18(24)14-20(21)22/h2-6,13-14,16,21H,7-12H2,1H3,(H,25,28)/t21-/m0/s1