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

Systemtic Name: methanesulfonic acid; 1-(1-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine Openeye Name: methanesulfonic acid; 1-(1-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine CAS Name: methanesulfonic acid; 1-(1-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine IUPAC Name: methanesulfonic acid; 1-(1-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine Traditional Name: mesylic acid; 1-(1-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine Formula: C21H28N2O4S2 MolecularWeight: 436.58802

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=CC=C4OC.CS(=O)(=O)O

Isomeric SMILES

CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=CC=C4OC.CS(=O)(=O)O

InChI

InChI=1S/C20H24N2OS.CH4O3S/c1-21-10-12-22(13-11-21)17-14-15-6-3-4-9-19(15)24-20-16(17)7-5-8-18(20)23-2;1-5(2,3)4/h3-9,17H,10-14H2,1-2H3;1H3,(H,2,3,4)