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

Systemtic Name: [1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: [2-(isobutylamino)-1-methyl-2-oxo-ethyl] 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid [1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methylpropylamino)-1-oxopropan-2-yl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid [2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O5S/c1-16(2)15-22-21(25)17(3)28-20(24)12-9-18-7-10-19(11-8-18)29(26,27)23-13-5-4-6-14-23/h7-8,10-11,16-17H,4-6,9,12-15H2,1-3H3,(H,22,25)