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9-fluoranyl-N,N-dimethyl-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide

9-fluoranyl-N,N-dimethyl-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide

Systemtic Name:9-fluoranyl-N,N-dimethyl-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide
Openeye Name:9-fluoro-N,N-dimethyl-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide
CAS Name:9-fluoro-N,N-dimethyl-5-(4-methyl-1-piperazinyl)-5,6-dihydrobenzo[b][1]benzothiepin-3-sulfonamide
IUPAC Name:9-fluoro-N,N-dimethyl-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide
Traditional Name:9-fluoro-N,N-dimethyl-5-(4-methylpiperazino)-5,6-dihydrobenzo[b][1]benzothiepin-3-sulfonamide
Formula: C21H26FN3O2S2
MolecularWeight: 435.578443
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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CC3=C(C=C(C=C3)F)SC4=C2C=C(C=C4)S(=O)(=O)N(C)C


Isomeric SMILES

CN1CCN(CC1)C2CC3=C(C=C(C=C3)F)SC4=C2C=C(C=C4)S(=O)(=O)N(C)C


InChI

InChI=1S/C21H26FN3O2S2/c1-23(2)29(26,27)17-6-7-20-18(14-17)19(25-10-8-24(3)9-11-25)12-15-4-5-16(22)13-21(15)28-20/h4-7,13-14,19H,8-12H2,1-3H3


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