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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: [2-(benzylcarbamoylamino)-2-oxo-ethyl] 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid [2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] ester IUPAC Name: [2-(benzylcarbamoylamino)-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid [2-(benzylcarbamoylamino)-2-keto-ethyl] ester Formula: C24H29N3O6S MolecularWeight: 487.56856

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C24H29N3O6S/c28-22(26-24(30)25-17-20-7-3-1-4-8-20)18-33-23(29)14-11-19-9-12-21(13-10-19)34(31,32)27-15-5-2-6-16-27/h1,3-4,7-10,12-13H,2,5-6,11,14-18H2,(H2,25,26,28,30)