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

Systemtic Name: 1-(1-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine; methanesulfonic acid Openeye Name: 1-(1-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine; methanesulfonic acid CAS Name: 1-(1-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine; methanesulfonic acid IUPAC Name: 1-(1-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine; methanesulfonic acid Traditional Name: 1-(1-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine; mesylic acid Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1SC3=CC=CC=C3CC2N4CCNCC4.CS(=O)(=O)O

Isomeric SMILES

CCC1=CC=CC2=C1SC3=CC=CC=C3CC2N4CCNCC4.CS(=O)(=O)O

InChI

InChI=1S/C20H24N2S.CH4O3S/c1-2-15-7-5-8-17-18(22-12-10-21-11-13-22)14-16-6-3-4-9-19(16)23-20(15)17;1-5(2,3)4/h3-9,18,21H,2,10-14H2,1H3;1H3,(H,2,3,4)