[7-azanyl-2,2-dimethyl-6-(4-methylphenyl)sulfonyl-1,3-dioxepan-5-yl] 4-methylbenzenesulfonate

Systemtic Name: [7-azanyl-2,2-dimethyl-6-(4-methylphenyl)sulfonyl-1,3-dioxepan-5-yl] 4-methylbenzenesulfonate Openeye Name: [7-amino-2,2-dimethyl-6-(p-tolylsulfonyl)-1,3-dioxepan-5-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [7-amino-2,2-dimethyl-6-(4-methylphenyl)sulfonyl-1,3-dioxepan-5-yl] ester IUPAC Name: [7-amino-2,2-dimethyl-6-(4-methylphenyl)sulfonyl-1,3-dioxepan-5-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (7-amino-2,2-dimethyl-6-tosyl-1,3-dioxepan-5-yl) ester Formula: C21H27NO7S2 MolecularWeight: 469.57158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2C(COC(OC2N)(C)C)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2C(COC(OC2N)(C)C)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H27NO7S2/c1-14-5-9-16(10-6-14)30(23,24)19-18(13-27-21(3,4)28-20(19)22)29-31(25,26)17-11-7-15(2)8-12-17/h5-12,18-20H,13,22H2,1-4H3