[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]butanoate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]butanoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 4-[(4-acetylphenyl)sulfonyl-methyl-amino]butanoate CAS Name: 4-[(4-acetylphenyl)sulfonyl-methylamino]butanoic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 4-[(4-acetylphenyl)sulfonyl-methylamino]butanoate Traditional Name: 4-[(4-acetylphenyl)sulfonyl-methyl-amino]butyric 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)CCCN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O6S/c1-5-19-18(23)14(3)26-17(22)7-6-12-20(4)27(24,25)16-10-8-15(9-11-16)13(2)21/h8-11,14H,5-7,12H2,1-4H3,(H,19,23)/t14-/m0/s1