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

Systemtic Name: N-[(4R)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-1-(2-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(2-fluorophenyl)sulfonyl-N-[(4R)-8-fluorothiochroman-4-yl]piperidine-4-carboxamide CAS Name: N-[(4R)-8-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-1-(2-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-(2-fluorophenyl)sulfonyl-N-[(4R)-8-fluorothiochroman-4-yl]isonipecotamide Formula: C21H22F2N2O3S2 MolecularWeight: 452.537786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2CCSC3=C2C=CC=C3F)S(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CSC2=C([C@@H]1NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F)C=CC=C2F

InChI

InChI=1S/C21H22F2N2O3S2/c22-16-5-1-2-7-19(16)30(27,28)25-11-8-14(9-12-25)21(26)24-18-10-13-29-20-15(18)4-3-6-17(20)23/h1-7,14,18H,8-13H2,(H,24,26)/t18-/m1/s1