[1-[[N-(4-methylphenyl)sulfonyl-S-phenyl-sulfonimidoyl]methyl]cyclohexyl] methanesulfonate

Systemtic Name: [1-[[N-(4-methylphenyl)sulfonyl-S-phenyl-sulfonimidoyl]methyl]cyclohexyl] methanesulfonate Openeye Name: [1-[[S-phenyl-N-(p-tolylsulfonyl)sulfonimidoyl]methyl]cyclohexyl] methanesulfonate CAS Name: methanesulfonic acid [1-[[N-(4-methylphenyl)sulfonyl-S-phenylsulfonimidoyl]methyl]cyclohexyl] ester IUPAC Name: [1-[[N-(4-methylphenyl)sulfonyl-S-phenylsulfonimidoyl]methyl]cyclohexyl] methanesulfonate Traditional Name: methanesulfonic acid [1-[(S-phenyl-N-tosyl-sulfonimidoyl)methyl]cyclohexyl] ester Formula: C21H27NO6S3 MolecularWeight: 485.63718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=S(=O)(CC2(CCCCC2)OS(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N=S(=O)(CC2(CCCCC2)OS(=O)(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C21H27NO6S3/c1-18-11-13-20(14-12-18)31(26,27)22-30(25,19-9-5-3-6-10-19)17-21(28-29(2,23)24)15-7-4-8-16-21/h3,5-6,9-14H,4,7-8,15-17H2,1-2H3