[2,2-dimethyl-3-[(4-methylphenyl)sulfonylamino]propyl] 4-methylbenzenesulfonate

Systemtic Name: [2,2-dimethyl-3-[(4-methylphenyl)sulfonylamino]propyl] 4-methylbenzenesulfonate Openeye Name: [2,2-dimethyl-3-(p-tolylsulfonylamino)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2,2-dimethyl-3-[(4-methylphenyl)sulfonylamino]propyl] ester IUPAC Name: [2,2-dimethyl-3-[(4-methylphenyl)sulfonylamino]propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2,2-dimethyl-3-(tosylamino)propyl] ester Formula: C19H25NO5S2 MolecularWeight: 411.5355

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(C)(C)COS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(C)(C)COS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H25NO5S2/c1-15-5-9-17(10-6-15)26(21,22)20-13-19(3,4)14-25-27(23,24)18-11-7-16(2)8-12-18/h5-12,20H,13-14H2,1-4H3