methanesulfonic acid; 5-(4-methylpiperazin-1-yl)benzo[b][1]benzothiepin-3-amine

Systemtic Name: methanesulfonic acid; 5-(4-methylpiperazin-1-yl)benzo[b][1]benzothiepin-3-amine Openeye Name: methanesulfonic acid; 5-(4-methylpiperazin-1-yl)benzo[b][1]benzothiepin-3-amine CAS Name: methanesulfonic acid; 5-(4-methyl-1-piperazinyl)-3-benzo[b][1]benzothiepinamine IUPAC Name: methanesulfonic acid; 5-(4-methylpiperazin-1-yl)benzo[b][1]benzothiepin-3-amine Traditional Name: mesylic acid; [5-(4-methylpiperazino)benzo[b][1]benzothiepin-3-yl]amine Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC3=CC=CC=C3SC4=C2C=C(C=C4)N.CS(=O)(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=CC3=CC=CC=C3SC4=C2C=C(C=C4)N.CS(=O)(=O)O

InChI

InChI=1S/C19H21N3S.CH4O3S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19;1-5(2,3)4/h2-7,12-13H,8-11,20H2,1H3;1H3,(H,2,3,4)