[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butyl] 4-methylbenzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](COS(=O)(=O)C2=CC=C(C=C2)C)C(C)C

InChI

InChI=1S/C19H25NO5S2/c1-14(2)19(20-26(21,22)17-9-5-15(3)6-10-17)13-25-27(23,24)18-11-7-16(4)8-12-18/h5-12,14,19-20H,13H2,1-4H3/t19-/m1/s1