1-(4-fluorophenyl)sulfonyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]piperidine-3-carboxamide

Systemtic Name: 1-(4-fluorophenyl)sulfonyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]piperidine-3-carboxamide Openeye Name: N-[4-(allylcarbamoylamino)phenyl]-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: 1-(4-fluorophenyl)sulfonyl-N-[4-[[oxo-(prop-2-enylamino)methyl]amino]phenyl]-3-piperidinecarboxamide IUPAC Name: 1-(4-fluorophenyl)sulfonyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]piperidine-3-carboxamide Traditional Name: N-[4-(allylcarbamoylamino)phenyl]-1-(4-fluorophenyl)sulfonyl-nipecotamide Formula: C22H25FN4O4S MolecularWeight: 460.521703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C=CCNC(=O)NC1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H25FN4O4S/c1-2-13-24-22(29)26-19-9-7-18(8-10-19)25-21(28)16-4-3-14-27(15-16)32(30,31)20-11-5-17(23)6-12-20/h2,5-12,16H,1,3-4,13-15H2,(H,25,28)(H2,24,26,29)