[(2S)-1-[N-(4-methylphenyl)sulfonyl-S-phenyl-sulfonimidoyl]pentan-2-yl] methanesulfonate

Systemtic Name: [(2S)-1-[N-(4-methylphenyl)sulfonyl-S-phenyl-sulfonimidoyl]pentan-2-yl] methanesulfonate Openeye Name: [(1S)-1-[[S-phenyl-N-(p-tolylsulfonyl)sulfonimidoyl]methyl]butyl] methanesulfonate CAS Name: methanesulfonic acid [(2S)-1-[N-(4-methylphenyl)sulfonyl-S-phenylsulfonimidoyl]pentan-2-yl] ester IUPAC Name: [(2S)-1-[N-(4-methylphenyl)sulfonyl-S-phenylsulfonimidoyl]pentan-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [(1S)-1-[(S-phenyl-N-tosyl-sulfonimidoyl)methyl]butyl] ester Formula: C19H25NO6S3 MolecularWeight: 459.5999

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CS(=NS(=O)(=O)C1=CC=C(C=C1)C)(=O)C2=CC=CC=C2)OS(=O)(=O)C

Isomeric SMILES

CCC[C@@H](C[S@@](=NS(=O)(=O)C1=CC=C(C=C1)C)(=O)C2=CC=CC=C2)OS(=O)(=O)C

InChI

InChI=1S/C19H25NO6S3/c1-4-8-17(26-27(3,21)22)15-28(23,18-9-6-5-7-10-18)20-29(24,25)19-13-11-16(2)12-14-19/h5-7,9-14,17H,4,8,15H2,1-3H3/t17-,28+/m0/s1