[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 4-[[(4-acetamidophenyl)sulfonylamino]methyl]benzoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 4-[[(4-acetamidophenyl)sulfonylamino]methyl]benzoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 4-[[(4-acetamidophenyl)sulfonylamino]methyl]benzoate CAS Name: 4-[[(4-acetamidophenyl)sulfonylamino]methyl]benzoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 4-[[(4-acetamidophenyl)sulfonylamino]methyl]benzoate Traditional Name: 4-[[(4-acetamidophenyl)sulfonylamino]methyl]benzoic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C25H25N3O6S MolecularWeight: 495.5475

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C25H25N3O6S/c1-18(29)28-22-11-13-23(14-12-22)35(32,33)27-16-20-7-9-21(10-8-20)25(31)34-17-24(30)26-15-19-5-3-2-4-6-19/h2-14,27H,15-17H2,1H3,(H,26,30)(H,28,29)