[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 3-(4-morpholinosulfonylphenyl)propanoate CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]propanoic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-morpholinosulfonylphenyl)propionic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H26N2O6S MolecularWeight: 398.47384

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C18H26N2O6S/c1-3-19-18(22)14(2)26-17(21)9-6-15-4-7-16(8-5-15)27(23,24)20-10-12-25-13-11-20/h4-5,7-8,14H,3,6,9-13H2,1-2H3,(H,19,22)/t14-/m0/s1