[4-[[(4-methylphenyl)sulfonylamino]methyl]oxan-4-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [4-[[(4-methylphenyl)sulfonylamino]methyl]oxan-4-yl]methyl 4-methylbenzenesulfonate Openeye Name: [4-[(p-tolylsulfonylamino)methyl]tetrahydropyran-4-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[[(4-methylphenyl)sulfonylamino]methyl]-4-oxanyl]methyl ester IUPAC Name: [4-[[(4-methylphenyl)sulfonylamino]methyl]oxan-4-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(tosylamino)methyl]tetrahydropyran-4-yl]methyl ester Formula: C21H27NO6S2 MolecularWeight: 453.57218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC2(CCOCC2)COS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC2(CCOCC2)COS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H27NO6S2/c1-17-3-7-19(8-4-17)29(23,24)22-15-21(11-13-27-14-12-21)16-28-30(25,26)20-9-5-18(2)6-10-20/h3-10,22H,11-16H2,1-2H3