methyl 3-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]propanoate

Systemtic Name: methyl 3-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]propanoate Openeye Name: methyl 3-[3-[4-(1-piperidylsulfonyl)phenyl]propanoylamino]propanoate CAS Name: 3-[[1-oxo-3-[4-(1-piperidinylsulfonyl)phenyl]propyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]propanoate Traditional Name: 3-[3-(4-piperidinosulfonylphenyl)propanoylamino]propionic acid methyl ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5S/c1-25-18(22)11-12-19-17(21)10-7-15-5-8-16(9-6-15)26(23,24)20-13-3-2-4-14-20/h5-6,8-9H,2-4,7,10-14H2,1H3,(H,19,21)