[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H31N3O6S MolecularWeight: 453.55234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)COC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC(C)CNC(=O)NC(=O)COC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C21H31N3O6S/c1-16(2)14-22-21(27)23-19(25)15-30-20(26)11-8-17-6-9-18(10-7-17)31(28,29)24-12-4-3-5-13-24/h6-7,9-10,16H,3-5,8,11-15H2,1-2H3,(H2,22,23,25,27)