N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(4-fluorophenyl)sulfonyl-N-(6-fluorothiochroman-4-yl)piperidine-4-carboxamide CAS Name: N-(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-(4-fluorophenyl)sulfonyl-N-(6-fluorothiochroman-4-yl)isonipecotamide Formula: C21H22F2N2O3S2 MolecularWeight: 452.537786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2CCSC3=C2C=C(C=C3)F)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCC1C(=O)NC2CCSC3=C2C=C(C=C3)F)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H22F2N2O3S2/c22-15-1-4-17(5-2-15)30(27,28)25-10-7-14(8-11-25)21(26)24-19-9-12-29-20-6-3-16(23)13-18(19)20/h1-6,13-14,19H,7-12H2,(H,24,26)