methyl 3-[2-[3-[(4-methylphenyl)sulfonylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[(4-methylphenyl)sulfonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-(p-tolylsulfonylamino)phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[(4-methylphenyl)sulfonylamino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(4-methylphenyl)sulfonylamino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-(tosylamino)phenyl]ethynyl]benzoic acid methyl ester Formula: C23H19NO4S MolecularWeight: 405.46626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C#CC3=CC(=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C#CC3=CC(=CC=C3)C(=O)OC

InChI

InChI=1S/C23H19NO4S/c1-17-9-13-22(14-10-17)29(26,27)24-21-8-4-6-19(16-21)12-11-18-5-3-7-20(15-18)23(25)28-2/h3-10,13-16,24H,1-2H3