[(2S)-1-[(4-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-phenethylsulfanylethanoate

Systemtic Name: [(2S)-1-[(4-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-phenethylsulfanylethanoate Openeye Name: [(1S)-1-methyl-2-(4-morpholinosulfonylanilino)-2-oxo-ethyl] 2-phenethylsulfanylacetate CAS Name: 2-(phenethylthio)acetic acid [(2S)-1-[4-(4-morpholinylsulfonyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-phenethylsulfanylacetate Traditional Name: 2-(phenethylthio)acetic acid [(1S)-2-keto-1-methyl-2-(4-morpholinosulfonylanilino)ethyl] ester Formula: C23H28N2O6S2 MolecularWeight: 492.60822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)OC(=O)CSCCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)OC(=O)CSCCC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O6S2/c1-18(31-22(26)17-32-16-11-19-5-3-2-4-6-19)23(27)24-20-7-9-21(10-8-20)33(28,29)25-12-14-30-15-13-25/h2-10,18H,11-17H2,1H3,(H,24,27)/t18-/m0/s1