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

Systemtic Name: [1-[[N-(4-methylphenyl)sulfonyl-S-phenyl-sulfonimidoyl]methyl]cycloheptyl] methanesulfonate Openeye Name: [1-[[S-phenyl-N-(p-tolylsulfonyl)sulfonimidoyl]methyl]cycloheptyl] methanesulfonate CAS Name: methanesulfonic acid [1-[[N-(4-methylphenyl)sulfonyl-S-phenylsulfonimidoyl]methyl]cycloheptyl] ester IUPAC Name: [1-[[N-(4-methylphenyl)sulfonyl-S-phenylsulfonimidoyl]methyl]cycloheptyl] methanesulfonate Traditional Name: methanesulfonic acid [1-[(S-phenyl-N-tosyl-sulfonimidoyl)methyl]cycloheptyl] ester Formula: C22H29NO6S3 MolecularWeight: 499.66376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=S(=O)(CC2(CCCCCC2)OS(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N=S(=O)(CC2(CCCCCC2)OS(=O)(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C22H29NO6S3/c1-19-12-14-21(15-13-19)32(27,28)23-31(26,20-10-6-5-7-11-20)18-22(29-30(2,24)25)16-8-3-4-9-17-22/h5-7,10-15H,3-4,8-9,16-18H2,1-2H3