Molecule ID: 36207

IUPAC Name: benzenesulfonic acid;10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine

Description: The molecule is the benzenesulfonate salt of mesoridazine prepared using equimolar amounts of mesoridazine and benzenesulfonic acid. It has a role as a dopaminergic antagonist and a first generation antipsychotic. It contains a mesoridazine.

SMILES: CN1CCCCC1CCN1c2ccccc2Sc2ccc(S(C)=O)cc21.O=S(=O)(O)c1ccccc1

SELFIES: [C][N][C][C][C][C][C][Ring1][=Branch1][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][=Branch1][S][Branch1][C][C][=O][C][=C][Ring1][=Branch2][Ring1][P].[O][=S][=Branch1][C][=O][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C21H26N2OS2.C6H6O3S/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23;7-10(8,9)6-4-2-1-3-5-6/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3;1-5H,(H,7,8,9)

Molecular Properties:
- Polar Surface Area: 131.0 Ų
- LogP: nan