4-[4-[2-[(1S)-isochroman-1-yl]ethyl]piperazin-1-yl]benzenesulfonamide; methanesulfonic acid

Molecular Formula: C₂₂H₃₁N₃O₆S₂

InChI: InChI=1/C21H27N3O3S.CH4O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21;1-5(2,3)4/h1-8,21H,9-16H2,(H2,22,25,26);1H3,(H,2,3,4)/t21-;/m0./s1/f/h22H2;2H

InChIKey: InChIKey=GFNAQGUENCOUHQ-FZIAFUKODP
SMILES: CS(=O)(=O)O.C1COC(C2=CC=CC=C21)CCN3CCN(CC3)C4=CC=C(C=C4)S(=O)(=O)N

Names:
    4-[4-[2-[(1S)-isochroman-1-yl]ethyl]piperazin-1-yl]benzenesulfonamide; methanesulfonic acid

Registries:
    PubChem CID 133078
    PubChem ID 10243294