ethyl 1-[4-[5-(propan-2-ylsulfonylamino)pentanoylamino]phenyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[5-(propan-2-ylsulfonylamino)pentanoylamino]phenyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-[5-(isopropylsulfonylamino)pentanoylamino]phenyl]piperidine-4-carboxylate CAS Name: 1-[4-[[1-oxo-5-(propan-2-ylsulfonylamino)pentyl]amino]phenyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[5-(propan-2-ylsulfonylamino)pentanoylamino]phenyl]piperidine-4-carboxylate Traditional Name: 1-[4-[5-(isopropylsulfonylamino)pentanoylamino]phenyl]isonipecotic acid ethyl ester Formula: C22H35N3O5S MolecularWeight: 453.5954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCCCNS(=O)(=O)C(C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCCCNS(=O)(=O)C(C)C

InChI

InChI=1S/C22H35N3O5S/c1-4-30-22(27)18-12-15-25(16-13-18)20-10-8-19(9-11-20)24-21(26)7-5-6-14-23-31(28,29)17(2)3/h8-11,17-18,23H,4-7,12-16H2,1-3H3,(H,24,26)