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

Systemtic Name: N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-fluorothiochroman-4-yl)-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(6-fluorothiochroman-4-yl)-1-(4-methoxyphenyl)sulfonyl-isonipecotamide Formula: C22H25FN2O4S2 MolecularWeight: 464.573303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCSC4=C3C=C(C=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCSC4=C3C=C(C=C4)F

InChI

InChI=1S/C22H25FN2O4S2/c1-29-17-3-5-18(6-4-17)31(27,28)25-11-8-15(9-12-25)22(26)24-20-10-13-30-21-7-2-16(23)14-19(20)21/h2-7,14-15,20H,8-13H2,1H3,(H,24,26)