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

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-acetamidophenyl)sulfonylamino]propanoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-acetamidophenyl)sulfonylamino]propionic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C18H27N3O6S MolecularWeight: 413.48848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O6S/c1-4-14(5-2)21-17(23)12-27-18(24)10-11-19-28(25,26)16-8-6-15(7-9-16)20-13(3)22/h6-9,14,19H,4-5,10-12H2,1-3H3,(H,20,22)(H,21,23)