N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[(4S)-6-fluorothiochroman-4-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[(4S)-6-fluorothiochroman-4-yl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C18H18FNO4S2 MolecularWeight: 395.468223

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3CCSC4=C3C=C(C=C4)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N[C@H]3CCSC4=C3C=C(C=C4)F)OC1

InChI

InChI=1S/C18H18FNO4S2/c19-12-2-5-18-14(10-12)15(6-9-25-18)20-26(21,22)13-3-4-16-17(11-13)24-8-1-7-23-16/h2-5,10-11,15,20H,1,6-9H2/t15-/m0/s1