[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-[(4-acetamidophenyl)sulfonylamino]ethanoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-[(4-acetamidophenyl)sulfonylamino]ethanoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate CAS Name: 2-[(4-acetamidophenyl)sulfonylamino]acetic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate Traditional Name: 2-[(4-acetamidophenyl)sulfonylamino]acetic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C17H25N3O6S MolecularWeight: 399.4619

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)CNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)CNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C

InChI

InChI=1S/C17H25N3O6S/c1-4-13(5-2)20-16(22)11-26-17(23)10-18-27(24,25)15-8-6-14(7-9-15)19-12(3)21/h6-9,13,18H,4-5,10-11H2,1-3H3,(H,19,21)(H,20,22)