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

Systemtic Name: [2-[(2-fluorophenyl)carbamoylamino]-2-oxidanylidene-ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: [2-[(2-fluorophenyl)carbamoylamino]-2-oxo-ethyl] 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid [2-[[(2-fluoroanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid [2-[(2-fluorophenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C23H26FN3O6S MolecularWeight: 491.532443

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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)NC3=CC=CC=C3F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)NC(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C23H26FN3O6S/c24-19-6-2-3-7-20(19)25-23(30)26-21(28)16-33-22(29)13-10-17-8-11-18(12-9-17)34(31,32)27-14-4-1-5-15-27/h2-3,6-9,11-12H,1,4-5,10,13-16H2,(H2,25,26,28,30)