methyl 2-[3-[2-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylprop-1-ynyl]benzoate

Systemtic Name: methyl 2-[3-[2-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylprop-1-ynyl]benzoate Openeye Name: methyl 2-[3-[2-(p-tolylsulfonylamino)phenyl]sulfanylprop-1-ynyl]benzoate CAS Name: 2-[3-[[2-[(4-methylphenyl)sulfonylamino]phenyl]thio]prop-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 2-[3-[2-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylprop-1-ynyl]benzoate Traditional Name: 2-[3-[[2-(tosylamino)phenyl]thio]prop-1-ynyl]benzoic acid methyl ester Formula: C24H21NO4S2 MolecularWeight: 451.55784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2SCC#CC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2SCC#CC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C24H21NO4S2/c1-18-13-15-20(16-14-18)31(27,28)25-22-11-5-6-12-23(22)30-17-7-9-19-8-3-4-10-21(19)24(26)29-2/h3-6,8,10-16,25H,17H2,1-2H3