[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate CAS Name: 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate Traditional Name: 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)OCC(=O)NCC#C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C23H26N2O5S/c1-5-14-24-21(26)16-30-22(27)18-8-6-17(7-9-18)15-25-31(28,29)20-12-10-19(11-13-20)23(2,3)4/h1,6-13,25H,14-16H2,2-4H3,(H,24,26)