[2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-(2-benzylanilino)-2-oxo-ethyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-[2-(phenylmethyl)anilino]ethyl] ester IUPAC Name: [2-(2-benzylanilino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [2-(2-benzylanilino)-2-keto-ethyl] ester Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC=CC=C3CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC=CC=C3CC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O5S/c30-26(28-25-15-6-5-12-22(25)18-21-10-3-1-4-11-21)20-34-27(31)23-13-9-14-24(19-23)35(32,33)29-16-7-2-8-17-29/h1,3-6,9-15,19H,2,7-8,16-18,20H2,(H,28,30)