1-(9-chloranyl-3-fluoranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine; methanesulfonic acid

Systemtic Name: 1-(9-chloranyl-3-fluoranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine; methanesulfonic acid Openeye Name: 1-(9-chloro-3-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine; methanesulfonic acid CAS Name: 1-(9-chloro-3-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine; methanesulfonic acid IUPAC Name: 1-(9-chloro-3-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine; methanesulfonic acid Traditional Name: 1-(9-chloro-3-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine; mesylic acid Formula: C20H24ClFN2O3S2 MolecularWeight: 458.997563

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CC3=C(C=C(C=C3)Cl)SC4=C2C=C(C=C4)F.CS(=O)(=O)O

Isomeric SMILES

CN1CCN(CC1)C2CC3=C(C=C(C=C3)Cl)SC4=C2C=C(C=C4)F.CS(=O)(=O)O

InChI

InChI=1S/C19H20ClFN2S.CH4O3S/c1-22-6-8-23(9-7-22)17-10-13-2-3-14(20)11-19(13)24-18-5-4-15(21)12-16(17)18;1-5(2,3)4/h2-5,11-12,17H,6-10H2,1H3;1H3,(H,2,3,4)