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

Systemtic Name: 4-[(1S,2R)-3-methyl-1-phenyl-1-(phenylsulfonyl)butan-2-yl]thiomorpholin-4-ium Openeye Name: 4-[(1R)-1-[(S)-benzenesulfonyl(phenyl)methyl]-2-methyl-propyl]thiomorpholin-4-ium CAS Name: 4-[(1S,2R)-1-(benzenesulfonyl)-3-methyl-1-phenylbutan-2-yl]thiomorpholin-4-ium IUPAC Name: 4-[(1S,2R)-1-(benzenesulfonyl)-3-methyl-1-phenylbutan-2-yl]thiomorpholin-4-ium Traditional Name: 4-[(1R)-1-[(S)-besyl(phenyl)methyl]-2-methyl-propyl]thiomorpholin-4-ium Formula: C21H28NO2S2+ MolecularWeight: 390.58252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2)[NH+]3CCSCC3

Isomeric SMILES

CC(C)[C@H]([C@H](C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2)[NH+]3CCSCC3

InChI

InChI=1S/C21H27NO2S2/c1-17(2)20(22-13-15-25-16-14-22)21(18-9-5-3-6-10-18)26(23,24)19-11-7-4-8-12-19/h3-12,17,20-21H,13-16H2,1-2H3/p+1/t20-,21+/m1/s1