2-[5-(3-cyanophenyl)-3-oxidanylidene-4-(quinolin-8-ylsulfonylamino)pentan-2-yl]piperidine-1-carboxylate

Systemtic Name: 2-[5-(3-cyanophenyl)-3-oxidanylidene-4-(quinolin-8-ylsulfonylamino)pentan-2-yl]piperidine-1-carboxylate Openeye Name: 2-[4-(3-cyanophenyl)-1-methyl-2-oxo-3-(8-quinolylsulfonylamino)butyl]piperidine-1-carboxylate CAS Name: 2-[5-(3-cyanophenyl)-3-oxo-4-(8-quinolinylsulfonylamino)pentan-2-yl]-1-piperidinecarboxylate IUPAC Name: 2-[5-(3-cyanophenyl)-3-oxo-4-(quinolin-8-ylsulfonylamino)pentan-2-yl]piperidine-1-carboxylate Traditional Name: 2-[4-(3-cyanophenyl)-2-keto-1-methyl-3-(8-quinolylsulfonylamino)butyl]piperidine-1-carboxylate Formula: C27H27N4O5S- MolecularWeight: 519.59208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCN1C(=O)[O-])C(=O)C(CC2=CC=CC(=C2)C#N)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC(C1CCCCN1C(=O)[O-])C(=O)C(CC2=CC=CC(=C2)C#N)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C27H28N4O5S/c1-18(23-11-2-3-14-31(23)27(33)34)26(32)22(16-19-7-4-8-20(15-19)17-28)30-37(35,36)24-12-5-9-21-10-6-13-29-25(21)24/h4-10,12-13,15,18,22-23,30H,2-3,11,14,16H2,1H3,(H,33,34)/p-1