[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

Systemtic Name: [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Openeye Name: [2-[[(1S)-1,2-dimethylpropyl]amino]-2-oxo-ethyl] 3-(4-morpholinosulfonylphenyl)propanoate CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]propanoic acid [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-morpholinosulfonylphenyl)propionic acid [2-[[(1S)-1,2-dimethylpropyl]amino]-2-keto-ethyl] ester Formula: C20H30N2O6S MolecularWeight: 426.527

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(C)C)NC(=O)COC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C20H30N2O6S/c1-15(2)16(3)21-19(23)14-28-20(24)9-6-17-4-7-18(8-5-17)29(25,26)22-10-12-27-13-11-22/h4-5,7-8,15-16H,6,9-14H2,1-3H3,(H,21,23)/t16-/m0/s1