N-[(4S)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanamide

Systemtic Name: N-[(4S)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanamide Openeye Name: 2-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-[(4S)-8-fluorothiochroman-4-yl]acetamide CAS Name: N-[(4S)-8-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide IUPAC Name: N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide Traditional Name: 2-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-[(4S)-8-fluorothiochroman-4-yl]acetamide Formula: C18H18F2N2O3S2 MolecularWeight: 412.473926

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1CCSC2=C1C=CC=C2F)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN(CC(=O)N[C@H]1CCSC2=C1C=CC=C2F)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H18F2N2O3S2/c1-22(27(24,25)13-7-5-12(19)6-8-13)11-17(23)21-16-9-10-26-18-14(16)3-2-4-15(18)20/h2-8,16H,9-11H2,1H3,(H,21,23)/t16-/m0/s1