methanesulfonic acid; 1-methoxy-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide

Systemtic Name: methanesulfonic acid; 1-methoxy-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide Openeye Name: methanesulfonic acid; 1-methoxy-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide CAS Name: methanesulfonic acid; 1-methoxy-5-(4-methyl-1-piperazinyl)-5,6-dihydrobenzo[b][1]benzothiepin 11-oxide IUPAC Name: methanesulfonic acid; 1-methoxy-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide Traditional Name: mesylic acid; 1-methoxy-5-(4-methylpiperazino)-5,6-dihydrobenzo[b][1]benzothiepin 11-oxide Formula: C21H28N2O5S2 MolecularWeight: 452.58742

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CC3=CC=CC=C3S(=O)C4=C2C=CC=C4OC.CS(=O)(=O)O

Isomeric SMILES

CN1CCN(CC1)C2CC3=CC=CC=C3S(=O)C4=C2C=CC=C4OC.CS(=O)(=O)O

InChI

InChI=1S/C20H24N2O2S.CH4O3S/c1-21-10-12-22(13-11-21)17-14-15-6-3-4-9-19(15)25(23)20-16(17)7-5-8-18(20)24-2;1-5(2,3)4/h3-9,17H,10-14H2,1-2H3;1H3,(H,2,3,4)