[(2S)-2-[(4-methylphenyl)sulfonylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-2-[(4-methylphenyl)sulfonylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-6-(tert-butoxycarbonylamino)-2-(p-tolylsulfonylamino)hexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-2-[(4-methylphenyl)sulfonylamino]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexyl] ester IUPAC Name: [(2S)-2-[(4-methylphenyl)sulfonylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-6-(tert-butoxycarbonylamino)-2-(tosylamino)hexyl] ester Formula: C25H36N2O7S2 MolecularWeight: 540.69254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O7S2/c1-19-9-13-22(14-10-19)35(29,30)27-21(8-6-7-17-26-24(28)34-25(3,4)5)18-33-36(31,32)23-15-11-20(2)12-16-23/h9-16,21,27H,6-8,17-18H2,1-5H3,(H,26,28)/t21-/m0/s1