ethyl 4-[2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]ethynyl]benzoate

Systemtic Name: ethyl 4-[2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]ethynyl]benzoate Openeye Name: ethyl 4-[2-[benzyl(p-tolylsulfonyl)amino]ethynyl]benzoate CAS Name: 4-[2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[benzyl-(4-methylphenyl)sulfonylamino]ethynyl]benzoate Traditional Name: 4-[2-[benzyl(tosyl)amino]ethynyl]benzoic acid ethyl ester Formula: C25H23NO4S MolecularWeight: 433.51942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H23NO4S/c1-3-30-25(27)23-13-11-21(12-14-23)17-18-26(19-22-7-5-4-6-8-22)31(28,29)24-15-9-20(2)10-16-24/h4-16H,3,19H2,1-2H3