N,N-dimethyl-5-(4-methylpiperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide; methanesulfonate

Systemtic Name: N,N-dimethyl-5-(4-methylpiperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide; methanesulfonate Openeye Name: N,N-dimethyl-5-(4-methylpiperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide; methanesulfonate CAS Name: N,N-dimethyl-5-(4-methyl-1-piperazin-4-iumyl)-5,6-dihydrobenzo[b][1]benzothiepin-3-sulfonamide; methanesulfonate IUPAC Name: N,N-dimethyl-5-(4-methylpiperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide; methanesulfonate Traditional Name: N,N-dimethyl-5-(4-methylpiperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-sulfonamide mesylate Formula: C22H31N3O5S3 MolecularWeight: 513.69364

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C.CS(=O)(=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C.CS(=O)(=O)[O-]

InChI

InChI=1S/C21H27N3O2S2.CH4O3S/c1-22(2)28(25,26)17-8-9-21-18(15-17)19(24-12-10-23(3)11-13-24)14-16-6-4-5-7-20(16)27-21;1-5(2,3)4/h4-9,15,19H,10-14H2,1-3H3;1H3,(H,2,3,4)