[2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 2-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 2-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(1-piperidylsulfonyl)benzoate CAS Name: 2-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-[4-(1-oxopropylamino)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-piperidinosulfonylbenzoic acid [2-keto-2-(4-propionamidophenyl)ethyl] ester Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H26N2O6S/c1-2-22(27)24-18-12-10-17(11-13-18)20(26)16-31-23(28)19-8-4-5-9-21(19)32(29,30)25-14-6-3-7-15-25/h4-5,8-13H,2-3,6-7,14-16H2,1H3,(H,24,27)