[2-[methyl-[3-[5-[3-[methyl-[2-(4-methylphenyl)sulfonyloxyphenyl]amino]prop-1-ynyl]thiophen-2-yl]prop-2-ynyl]amino]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[methyl-[3-[5-[3-[methyl-[2-(4-methylphenyl)sulfonyloxyphenyl]amino]prop-1-ynyl]thiophen-2-yl]prop-2-ynyl]amino]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[methyl-[3-[5-[3-[N-methyl-2-(p-tolylsulfonyloxy)anilino]prop-1-ynyl]-2-thienyl]prop-2-ynyl]amino]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[methyl-[3-[5-[3-[N-methyl-2-(4-methylphenyl)sulfonyloxyanilino]prop-1-ynyl]-2-thiophenyl]prop-2-ynyl]amino]phenyl] ester IUPAC Name: [2-[methyl-[3-[5-[3-[N-methyl-2-(4-methylphenyl)sulfonyloxyanilino]prop-1-ynyl]thiophen-2-yl]prop-2-ynyl]amino]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[methyl-[3-[5-[3-(N-methyl-2-tosyloxy-anilino)prop-1-ynyl]-2-thienyl]prop-2-ynyl]amino]phenyl] ester Formula: C38H34N2O6S3 MolecularWeight: 710.88136

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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(S3)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(S3)C#CCN(C)C4=CC=CC=C4OS(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C38H34N2O6S3/c1-29-17-23-33(24-18-29)48(41,42)45-37-15-7-5-13-35(37)39(3)27-9-11-31-21-22-32(47-31)12-10-28-40(4)36-14-6-8-16-38(36)46-49(43,44)34-25-19-30(2)20-26-34/h5-8,13-26H,27-28H2,1-4H3