(phenylmethyl) 4-[2-(butylsulfonylamino)-3-ethoxy-3-oxidanylidene-propyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[2-(butylsulfonylamino)-3-ethoxy-3-oxidanylidene-propyl]piperidine-1-carboxylate Openeye Name: benzyl 4-[2-(butylsulfonylamino)-3-ethoxy-3-oxo-propyl]piperidine-1-carboxylate CAS Name: 4-[2-(butylsulfonylamino)-3-ethoxy-3-oxopropyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-(butylsulfonylamino)-3-ethoxy-3-oxopropyl]piperidine-1-carboxylate Traditional Name: 4-[2-(butylsulfonylamino)-3-ethoxy-3-keto-propyl]piperidine-1-carboxylic acid benzyl ester Formula: C22H34N2O6S MolecularWeight: 454.58016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CC1CCN(CC1)C(=O)OCC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCCS(=O)(=O)NC(CC1CCN(CC1)C(=O)OCC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C22H34N2O6S/c1-3-5-15-31(27,28)23-20(21(25)29-4-2)16-18-11-13-24(14-12-18)22(26)30-17-19-9-7-6-8-10-19/h6-10,18,20,23H,3-5,11-17H2,1-2H3