1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-phenyl-piperazine; methanesulfonic acid

Systemtic Name: 1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-phenyl-piperazine; methanesulfonic acid Openeye Name: 1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-phenyl-piperazine; methanesulfonic acid CAS Name: 1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-phenylpiperazine; methanesulfonic acid IUPAC Name: 1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-phenylpiperazine; methanesulfonic acid Traditional Name: 1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-phenyl-piperazine; mesylic acid Formula: C25H28N2O3S2 MolecularWeight: 468.63142

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1CN(CCN1C2CC3=CC=CC=C3SC4=CC=CC=C24)C5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)O.C1CN(CCN1C2CC3=CC=CC=C3SC4=CC=CC=C24)C5=CC=CC=C5

InChI

InChI=1S/C24H24N2S.CH4O3S/c1-2-9-20(10-3-1)25-14-16-26(17-15-25)22-18-19-8-4-6-12-23(19)27-24-13-7-5-11-21(22)24;1-5(2,3)4/h1-13,22H,14-18H2;1H3,(H,2,3,4)