[2-[methyl-[3-[4-[3-[methyl-[2-(4-methylphenyl)sulfonyloxyphenyl]amino]prop-1-ynyl]phenyl]prop-2-ynyl]amino]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[methyl-[3-[4-[3-[methyl-[2-(4-methylphenyl)sulfonyloxyphenyl]amino]prop-1-ynyl]phenyl]prop-2-ynyl]amino]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[methyl-[3-[4-[3-[N-methyl-2-(p-tolylsulfonyloxy)anilino]prop-1-ynyl]phenyl]prop-2-ynyl]amino]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[methyl-[3-[4-[3-[N-methyl-2-(4-methylphenyl)sulfonyloxyanilino]prop-1-ynyl]phenyl]prop-2-ynyl]amino]phenyl] ester IUPAC Name: [2-[methyl-[3-[4-[3-[N-methyl-2-(4-methylphenyl)sulfonyloxyanilino]prop-1-ynyl]phenyl]prop-2-ynyl]amino]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[methyl-[3-[4-[3-(N-methyl-2-tosyloxy-anilino)prop-1-ynyl]phenyl]prop-2-ynyl]amino]phenyl] ester Formula: C40H36N2O6S2 MolecularWeight: 704.85364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2N(C)CC#CC3=CC=C(C=C3)C#CCN(C)C4=CC=CC=C4OS(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2N(C)CC#CC3=CC=C(C=C3)C#CCN(C)C4=CC=CC=C4OS(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C40H36N2O6S2/c1-31-17-25-35(26-18-31)49(43,44)47-39-15-7-5-13-37(39)41(3)29-9-11-33-21-23-34(24-22-33)12-10-30-42(4)38-14-6-8-16-40(38)48-50(45,46)36-27-19-32(2)20-28-36/h5-8,13-28H,29-30H2,1-4H3