5-[2-[(4-methylphenyl)sulfonylamino]phenyl]pent-4-ynyl 4-methylbenzenesulfonate

Systemtic Name: 5-[2-[(4-methylphenyl)sulfonylamino]phenyl]pent-4-ynyl 4-methylbenzenesulfonate Openeye Name: 5-[2-(p-tolylsulfonylamino)phenyl]pent-4-ynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 5-[2-[(4-methylphenyl)sulfonylamino]phenyl]pent-4-ynyl ester IUPAC Name: 5-[2-[(4-methylphenyl)sulfonylamino]phenyl]pent-4-ynyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 5-[2-(tosylamino)phenyl]pent-4-ynyl ester Formula: C25H25NO5S2 MolecularWeight: 483.5997

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C#CCCCOS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C#CCCCOS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H25NO5S2/c1-20-11-15-23(16-12-20)32(27,28)26-25-10-6-5-9-22(25)8-4-3-7-19-31-33(29,30)24-17-13-21(2)14-18-24/h5-6,9-18,26H,3,7,19H2,1-2H3