3-[2-[4-[(4-methylphenyl)sulfonylamino]but-1-ynyl]phenyl]prop-2-ynyl methanesulfonate

Systemtic Name: 3-[2-[4-[(4-methylphenyl)sulfonylamino]but-1-ynyl]phenyl]prop-2-ynyl methanesulfonate Openeye Name: 3-[2-[4-(p-tolylsulfonylamino)but-1-ynyl]phenyl]prop-2-ynyl methanesulfonate CAS Name: methanesulfonic acid 3-[2-[4-[(4-methylphenyl)sulfonylamino]but-1-ynyl]phenyl]prop-2-ynyl ester IUPAC Name: 3-[2-[4-[(4-methylphenyl)sulfonylamino]but-1-ynyl]phenyl]prop-2-ynyl methanesulfonate Traditional Name: methanesulfonic acid 3-[2-[4-(tosylamino)but-1-ynyl]phenyl]prop-2-ynyl ester Formula: C21H21NO5S2 MolecularWeight: 431.52514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC#CC2=CC=CC=C2C#CCOS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC#CC2=CC=CC=C2C#CCOS(=O)(=O)C

InChI

InChI=1S/C21H21NO5S2/c1-18-12-14-21(15-13-18)29(25,26)22-16-6-5-10-19-8-3-4-9-20(19)11-7-17-27-28(2,23)24/h3-4,8-9,12-15,22H,6,16-17H2,1-2H3