N-(8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(8-fluorothiochroman-4-yl)-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(8-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(8-fluorothiochroman-4-yl)-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C23H25FN2O3S2 MolecularWeight: 460.584603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2CCSC3=C2C=CC=C3F)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NC2CCSC3=C2C=CC=C3F)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C23H25FN2O3S2/c24-20-8-4-7-19-21(11-15-30-22(19)20)25-23(27)18-9-13-26(14-10-18)31(28,29)16-12-17-5-2-1-3-6-17/h1-8,12,16,18,21H,9-11,13-15H2,(H,25,27)/b16-12+