N,N-dimethyl-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide; methanesulfonic acid

Systemtic Name: N,N-dimethyl-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide; methanesulfonic acid Openeye Name: N,N-dimethyl-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide; methanesulfonic acid CAS Name: N,N-dimethyl-5-(1-piperazinyl)-5,6-dihydrobenzo[b][1]benzothiepin-3-sulfonamide; methanesulfonic acid IUPAC Name: N,N-dimethyl-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide; methanesulfonic acid Traditional Name: N,N-dimethyl-5-piperazino-5,6-dihydrobenzo[b][1]benzothiepin-3-sulfonamide; mesylic acid Formula: C22H33N3O8S4 MolecularWeight: 595.77272

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCNCC4.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCNCC4.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C20H25N3O2S2.2CH4O3S/c1-22(2)27(24,25)16-7-8-20-17(14-16)18(23-11-9-21-10-12-23)13-15-5-3-4-6-19(15)26-20;2*1-5(2,3)4/h3-8,14,18,21H,9-13H2,1-2H3;2*1H3,(H,2,3,4)