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

Systemtic Name: methyl 3-[2-[3-[(4-methylsulfonylphenyl)sulfonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[(4-methylsulfonylphenyl)sulfonylamino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[(4-methylsulfonylphenyl)sulfonylamino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(4-methylsulfonylphenyl)sulfonylamino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[(4-mesylphenyl)sulfonylamino]phenyl]ethynyl]benzoic acid methyl ester Formula: C23H19NO6S2 MolecularWeight: 469.53006

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C23H19NO6S2/c1-30-23(25)19-7-3-5-17(15-19)9-10-18-6-4-8-20(16-18)24-32(28,29)22-13-11-21(12-14-22)31(2,26)27/h3-8,11-16,24H,1-2H3