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

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 3-(4-morpholinosulfonylphenyl)propanoate CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]propanoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-morpholinosulfonylphenyl)propionic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C19H28N2O6S MolecularWeight: 412.50042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CC(C)CNC(=O)COC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C19H28N2O6S/c1-15(2)13-20-18(22)14-27-19(23)8-5-16-3-6-17(7-4-16)28(24,25)21-9-11-26-12-10-21/h3-4,6-7,15H,5,8-14H2,1-2H3,(H,20,22)