Dibenzo(b,f)thiepin-2-sulfonamide, 10,11-dihydro-N,N-dimethyl-11-(1-piperazinyl)-, dimethanesulfonate
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Basic information
- CAS
51723-68-3- Standard SMILES
CN(C)S(=O)(=O)c1ccc2c(c1)C(N1CCNCC1)Cc1ccccc1S2.CS(=O)(=O)O.CS(=O)(=O)O- InChIKey
DTNTUYXPHPCRFI-UHFFFAOYSA-N- Molecular formula
- C22H33N3O8S4
- Average molar mass
- 595.8 g/mol
- Monoisotopic mass
- 595.11504971
Names & identifiers
- Preferred name
- Dibenzo(b,f)thiepin-2-sulfonamide, 10,11-dihydro-N,N-dimethyl-11-(1-piperazinyl)-, dimethanesulfonate
- IUPAC
- N,N-dimethyl-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide;methanesulfonic acid
Names & synonyms
51723-68-38-(Dimethylsulfamoyl)-10-piperazino-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonateDibenzo(b,f)thiepin-2-sulfonamide, 10,11-dihydro-N,N-dimethyl-11-(1-piperazinyl)-, dimethanesulfonateRefChem:337191DTXSID40966010Methanesulfonic acid--N,N-dimethyl-11-(piperazin-1-yl)-10,11-dihydrodibenzo[b,f]thiepine-2-sulfonamide (2/1)
Database identifiers
- CAS
51723-68-3- PubChem CID
- 40096
- DTXSID
DTXSID40966010
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 212 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 3
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 693
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Compound notes
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