4-[(1S,2R)-3-methyl-1-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-butan-2-yl]thiomorpholin-4-ium

Systemtic Name: 4-[(1S,2R)-3-methyl-1-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-butan-2-yl]thiomorpholin-4-ium Openeye Name: 4-[(1R)-2-methyl-1-[(S)-p-tolyl(p-tolylsulfonyl)methyl]propyl]thiomorpholin-4-ium CAS Name: 4-[(1S,2R)-3-methyl-1-(4-methylphenyl)-1-(4-methylphenyl)sulfonylbutan-2-yl]thiomorpholin-4-ium IUPAC Name: 4-[(1S,2R)-3-methyl-1-(4-methylphenyl)-1-(4-methylphenyl)sulfonylbutan-2-yl]thiomorpholin-4-ium Traditional Name: 4-[(1R)-2-methyl-1-[(S)-p-tolyl(tosyl)methyl]propyl]thiomorpholin-4-ium Formula: C23H32NO2S2+ MolecularWeight: 418.63568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(C(C)C)[NH+]2CCSCC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]([C@@H](C(C)C)[NH+]2CCSCC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H31NO2S2/c1-17(2)22(24-13-15-27-16-14-24)23(20-9-5-18(3)6-10-20)28(25,26)21-11-7-19(4)8-12-21/h5-12,17,22-23H,13-16H2,1-4H3/p+1/t22-,23+/m1/s1