methyl 6-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]hexanoate

Systemtic Name: methyl 6-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]hexanoate Openeye Name: methyl 6-[3-[4-(1-piperidylsulfonyl)phenyl]propanoylamino]hexanoate CAS Name: 6-[[1-oxo-3-[4-(1-piperidinylsulfonyl)phenyl]propyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]hexanoate Traditional Name: 6-[3-(4-piperidinosulfonylphenyl)propanoylamino]hexanoic acid methyl ester Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O5S/c1-28-21(25)8-4-2-5-15-22-20(24)14-11-18-9-12-19(13-10-18)29(26,27)23-16-6-3-7-17-23/h9-10,12-13H,2-8,11,14-17H2,1H3,(H,22,24)