[4-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-[[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propyl]disulfanyl]propyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-[[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propyl]disulfanyl]propyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(2S)-2-(p-tolylsulfonylamino)-3-[[(2S)-2-(p-tolylsulfonylamino)-3-[4-(p-tolylsulfonyloxy)phenyl]propyl]disulfanyl]propyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-[[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propyl]disulfanyl]propyl]phenyl] ester IUPAC Name: [4-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-[[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propyl]disulfanyl]propyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(2S)-2-(tosylamino)-3-[[(2S)-2-(tosylamino)-3-(4-tosyloxyphenyl)propyl]disulfanyl]propyl]phenyl] ester Formula: C46H48N2O10S6 MolecularWeight: 981.27072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)CSSCC(CC4=CC=C(C=C4)OS(=O)(=O)C5=CC=C(C=C5)C)NS(=O)(=O)C6=CC=C(C=C6)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)CSSC[C@H](CC4=CC=C(C=C4)OS(=O)(=O)C5=CC=C(C=C5)C)NS(=O)(=O)C6=CC=C(C=C6)C

InChI

InChI=1S/C46H48N2O10S6/c1-33-5-21-43(22-6-33)61(49,50)47-39(29-37-13-17-41(18-14-37)57-63(53,54)45-25-9-35(3)10-26-45)31-59-60-32-40(48-62(51,52)44-23-7-34(2)8-24-44)30-38-15-19-42(20-16-38)58-64(55,56)46-27-11-36(4)12-28-46/h5-28,39-40,47-48H,29-32H2,1-4H3/t39-,40-/m0/s1