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

Systemtic Name: N,N-dimethyl-6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide; methanesulfonic acid Openeye Name: N,N-dimethyl-6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide; methanesulfonic acid CAS Name: N,N-dimethyl-6-(4-methyl-1-piperazinyl)-5,6-dihydrobenzo[b][1]benzothiepin-3-sulfonamide; methanesulfonic acid IUPAC Name: N,N-dimethyl-6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide; methanesulfonic acid Traditional Name: N,N-dimethyl-6-(4-methylpiperazino)-5,6-dihydrobenzo[b][1]benzothiepin-3-sulfonamide; mesylic acid Formula: C22H31N3O5S3 MolecularWeight: 513.69364

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CC3=C(C=CC(=C3)S(=O)(=O)N(C)C)SC4=CC=CC=C24.CS(=O)(=O)O

Isomeric SMILES

CN1CCN(CC1)C2CC3=C(C=CC(=C3)S(=O)(=O)N(C)C)SC4=CC=CC=C24.CS(=O)(=O)O

InChI

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