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

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C19H28N2O5S/c1-3-20-19(23)15(2)26-18(22)12-9-16-7-10-17(11-8-16)27(24,25)21-13-5-4-6-14-21/h7-8,10-11,15H,3-6,9,12-14H2,1-2H3,(H,20,23)/t15-/m0/s1