ethyl (2S)-2-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]carbonylamino]propanoate

Systemtic Name: ethyl (2S)-2-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]carbonylamino]propanoate Openeye Name: ethyl (2S)-2-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]propanoate CAS Name: (2S)-2-[[[1-(4-chlorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]propanoate Traditional Name: (2S)-2-[[1-(4-chlorophenyl)sulfonylisonipecotoyl]amino]propionic acid ethyl ester Formula: C17H23ClN2O5S MolecularWeight: 402.89292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)[C@H](C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H23ClN2O5S/c1-3-25-17(22)12(2)19-16(21)13-8-10-20(11-9-13)26(23,24)15-6-4-14(18)5-7-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,19,21)/t12-/m0/s1