[2-oxidanylidene-2-(2-phenylpropylamino)ethyl] 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylpropylamino)ethyl] 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: [2-oxo-2-(2-phenylpropylamino)ethyl] 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetic acid [2-oxo-2-(2-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylpropylamino)ethyl] 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetic acid [2-keto-2-(2-phenylpropylamino)ethyl] ester Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C)C2=CC=CC=C2

Isomeric SMILES

CC(CNC(=O)COC(=O)CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C)C2=CC=CC=C2

InChI

InChI=1S/C22H27N3O6S/c1-16(18-7-5-4-6-8-18)13-23-21(27)15-31-22(28)14-25(3)32(29,30)20-11-9-19(10-12-20)24-17(2)26/h4-12,16H,13-15H2,1-3H3,(H,23,27)(H,24,26)