Dibenzo(b,f)thiepin-2-sulfonamide, N,N-dimethyl-11-(4-methyl-1-piperazinyl)-, monomethanesulfonate

HCID 40100

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Basic information

CAS: 51723-72-9
Standard SMILES: CN(C)S(=O)(=O)c1ccc2c(c1)C(N1CC[NH+](C)CC1)=Cc1ccccc1S2.CS(=O)(=O)[O-]
InChIKey: UGIZLVADHJITRT-UHFFFAOYSA-N
Molecular formula: C22H29N3O5S3
Average molar mass: 511.7 g/mol
Monoisotopic mass: 511.12693455

Names & identifiers

Preferred name: Dibenzo(b,f)thiepin-2-sulfonamide, N,N-dimethyl-11-(4-methyl-1-piperazinyl)-, monomethanesulfonate
IUPAC: N,N-dimethyl-5-(4-methylpiperazin-4-ium-1-yl)benzo[b][1]benzothiepine-3-sulfonamide;methanesulfonate

Names & synonyms

51723-72-9Dibenzo(b,f)thiepin-2-sulfonamide, N,N-dimethyl-11-(4-methyl-1-piperazinyl)-, monomethanesulfonateDTXSID401996698-(Dimethylsulfamoyl)-10-(4-methylpiperazino)dibenzo(b,f)thiepin methanesulfonateRefChem:337193DTXCID501221604-[8-(dimethylsulfamoyl)dibenzo[b,f]thiepin-10-yl]-1-methylpiperazin-1-ium methanesulfonate

Database identifiers

CAS: 51723-72-9
PubChem CID: 40100
DTXSID: DTXSID40199669

Properties

Computed structural properties

Topological polar surface area: 144 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 3
Heavy atoms: 33
Formal charge: 0
Complexity: 759

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