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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C16H23N3O6S MolecularWeight: 385.43532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O6S/c1-11(2)17-15(21)10-25-16(22)9-19(4)26(23,24)14-7-5-13(6-8-14)18-12(3)20/h5-8,11H,9-10H2,1-4H3,(H,17,21)(H,18,20)