4-[4-[cyclopentylsulfonyl(4-methylsulfonyloxybut-2-ynyl)amino]but-2-ynyl-(4-methylphenyl)sulfonyl-amino]but-2-ynyl methanesulfonate

Systemtic Name: 4-[4-[cyclopentylsulfonyl(4-methylsulfonyloxybut-2-ynyl)amino]but-2-ynyl-(4-methylphenyl)sulfonyl-amino]but-2-ynyl methanesulfonate Openeye Name: 4-[4-[cyclopentylsulfonyl(4-methylsulfonyloxybut-2-ynyl)amino]but-2-ynyl-(p-tolylsulfonyl)amino]but-2-ynyl methanesulfonate CAS Name: methanesulfonic acid 4-[4-[cyclopentylsulfonyl(4-methylsulfonyloxybut-2-ynyl)amino]but-2-ynyl-(4-methylphenyl)sulfonylamino]but-2-ynyl ester IUPAC Name: 4-[4-[cyclopentylsulfonyl(4-methylsulfonyloxybut-2-ynyl)amino]but-2-ynyl-(4-methylphenyl)sulfonylamino]but-2-ynyl methanesulfonate Traditional Name: methanesulfonic acid 4-[4-[cyclopentylsulfonyl(4-methylsulfonyloxybut-2-ynyl)amino]but-2-ynyl-tosyl-amino]but-2-ynyl ester Formula: C26H29N2O10S4 MolecularWeight: 657.77586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC#CCN(CC#CCOS(=O)(=O)C)S(=O)(=O)[C]2[CH][CH][CH][CH]2)CC#CCOS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC#CCN(CC#CCOS(=O)(=O)C)S(=O)(=O)[C]2[CH][CH][CH][CH]2)CC#CCOS(=O)(=O)C

InChI

InChI=1S/C26H29N2O10S4/c1-24-14-16-26(17-15-24)42(35,36)28(21-9-11-23-38-40(3,31)32)19-7-6-18-27(20-8-10-22-37-39(2,29)30)41(33,34)25-12-4-5-13-25/h4-5,12-17H,18-23H2,1-3H3