(2-azanyl-2-oxidanylidene-ethyl) 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: (2-amino-2-oxo-ethyl) 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid (2-amino-2-keto-ethyl) ester Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)N

InChI

InChI=1S/C16H22N2O5S/c17-15(19)12-23-16(20)9-6-13-4-7-14(8-5-13)24(21,22)18-10-2-1-3-11-18/h4-5,7-8H,1-3,6,9-12H2,(H2,17,19)