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

Systemtic Name: [(2S)-1-[N-(4-methylphenyl)sulfonyl-S-phenyl-sulfonimidoyl]heptan-2-yl] methanesulfonate Openeye Name: [(1S)-1-[[S-phenyl-N-(p-tolylsulfonyl)sulfonimidoyl]methyl]hexyl] methanesulfonate CAS Name: methanesulfonic acid [(2S)-1-[N-(4-methylphenyl)sulfonyl-S-phenylsulfonimidoyl]heptan-2-yl] ester IUPAC Name: [(2S)-1-[N-(4-methylphenyl)sulfonyl-S-phenylsulfonimidoyl]heptan-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [(1S)-1-[(S-phenyl-N-tosyl-sulfonimidoyl)methyl]hexyl] ester Formula: C21H29NO6S3 MolecularWeight: 487.65306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC[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/C21H29NO6S3/c1-4-5-7-10-19(28-29(3,23)24)17-30(25,20-11-8-6-9-12-20)22-31(26,27)21-15-13-18(2)14-16-21/h6,8-9,11-16,19H,4-5,7,10,17H2,1-3H3/t19-,30+/m0/s1