4-[(6S)-8-chloranyl-2-fluoranyl-6H-benzo[b][4,1]benzoxathiepin-6-yl]-1-methyl-piperidine

Systemtic Name: 4-[(6S)-8-chloranyl-2-fluoranyl-6H-benzo[b][4,1]benzoxathiepin-6-yl]-1-methyl-piperidine Openeye Name: 4-[(6S)-8-chloro-2-fluoro-6H-benzo[b][4,1]benzoxathiepin-6-yl]-1-methyl-piperidine CAS Name: 4-[(6S)-8-chloro-2-fluoro-6H-benzo[b][4,1]benzoxathiepin-6-yl]-1-methylpiperidine IUPAC Name: 4-[(6S)-8-chloro-2-fluoro-6H-benzo[b][4,1]benzoxathiepin-6-yl]-1-methylpiperidine Traditional Name: 4-[(6S)-8-chloro-2-fluoro-6H-benzo[b][4,1]benzoxathiepin-6-yl]-1-methyl-piperidine Formula: C19H19ClFNOS MolecularWeight: 363.876663

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2C3=C(C=CC(=C3)Cl)SC4=C(O2)C=CC(=C4)F

Isomeric SMILES

CN1CCC(CC1)[C@H]2C3=C(C=CC(=C3)Cl)SC4=C(O2)C=CC(=C4)F

InChI

InChI=1S/C19H19ClFNOS/c1-22-8-6-12(7-9-22)19-15-10-13(20)2-5-17(15)24-18-11-14(21)3-4-16(18)23-19/h2-5,10-12,19H,6-9H2,1H3/t19-/m0/s1