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

Systemtic Name: N-[(4S)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(4S)-8-fluorothiochroman-4-yl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(4S)-8-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(4S)-8-fluorothiochroman-4-yl]-1-tosyl-isonipecotamide Formula: C22H25FN2O3S2 MolecularWeight: 448.573903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCSC4=C3C=CC=C4F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@H]3CCSC4=C3C=CC=C4F

InChI

InChI=1S/C22H25FN2O3S2/c1-15-5-7-17(8-6-15)30(27,28)25-12-9-16(10-13-25)22(26)24-20-11-14-29-21-18(20)3-2-4-19(21)23/h2-8,16,20H,9-14H2,1H3,(H,24,26)/t20-/m0/s1