[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 3-(4-morpholinosulfonylphenyl)propanoate CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]propanoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-morpholinosulfonylphenyl)propionic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C20H30N2O6S MolecularWeight: 426.527

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C20H30N2O6S/c1-3-17(4-2)21-19(23)15-28-20(24)10-7-16-5-8-18(9-6-16)29(25,26)22-11-13-27-14-12-22/h5-6,8-9,17H,3-4,7,10-15H2,1-2H3,(H,21,23)