[(2S)-2-[(4-methylphenyl)sulfonylamino]hexyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-2-[(4-methylphenyl)sulfonylamino]hexyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2-(p-tolylsulfonylamino)hexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-2-[(4-methylphenyl)sulfonylamino]hexyl] ester IUPAC Name: [(2S)-2-[(4-methylphenyl)sulfonylamino]hexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-2-(tosylamino)hexyl] ester Formula: C20H27NO5S2 MolecularWeight: 425.56208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(COS(=O)(=O)C1=CC=C(C=C1)C)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCC[C@@H](COS(=O)(=O)C1=CC=C(C=C1)C)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C20H27NO5S2/c1-4-5-6-18(21-27(22,23)19-11-7-16(2)8-12-19)15-26-28(24,25)20-13-9-17(3)10-14-20/h7-14,18,21H,4-6,15H2,1-3H3/t18-/m0/s1