Piperazine, 1-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-4-methyl-, S,S-dioxide, maleate (1:1)

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Basic information

CAS: 23737-32-8
Standard SMILES: CN1CCN(C2c3ccccc3CS(=O)(=O)c3ccccc32)CC1.O=C(O)/C=C/C(=O)O
InChIKey: QOJKVEVLASIERB-WLHGVMLRSA-N
Molecular formula: C23H26N2O6S
Average molar mass: 458.5 g/mol
Monoisotopic mass: 458.15115773

Names & identifiers

Preferred name: Piperazine, 1-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-4-methyl-, S,S-dioxide, maleate (1:1)
IUPAC: (E)-but-2-enedioic acid;11-(4-methylpiperazin-1-yl)-6,11-dihydrobenzo[c][1]benzothiepine 5,5-dioxide

Names & synonyms

Piperazine, 1-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-4-methyl-, S,S-dioxide, maleate (1:1)23737-32-8RefChem:109589411-(4-Methylpiperazino)-6,11-dihydrodibenzo(b,e)thiepin 5,5-dioxide maleate1-(6,11-Dihydrodibenzo(b,e)thiepin-11-yl)-4-methylpiperazine S,S-dioxide maleate

Database identifiers

CAS: 23737-32-8
PubChem CID: 6445149

Properties

Computed structural properties

Topological polar surface area: 124 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 3
Heavy atoms: 32
Formal charge: 0
Complexity: 655

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Compound notes

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