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

Systemtic Name: [2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-(methylcarbamoylamino)-2-oxo-1-phenyl-ethyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [2-keto-2-(methylcarbamoylamino)-1-phenyl-ethyl] ester Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C(C1=CC=CC=C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CNC(=O)NC(=O)C(C1=CC=CC=C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H25N3O6S/c1-23-22(28)24-20(26)19(16-9-4-2-5-10-16)31-21(27)17-11-8-12-18(15-17)32(29,30)25-13-6-3-7-14-25/h2,4-5,8-12,15,19H,3,6-7,13-14H2,1H3,(H2,23,24,26,28)