2,4-bis(fluoranyl)-N-[3-oxidanylidene-3-[(4-pyrrolidin-1-ylsulfonylphenyl)methylamino]propyl]benzamide

Systemtic Name: 2,4-bis(fluoranyl)-N-[3-oxidanylidene-3-[(4-pyrrolidin-1-ylsulfonylphenyl)methylamino]propyl]benzamide Openeye Name: 2,4-difluoro-N-[3-oxo-3-[(4-pyrrolidin-1-ylsulfonylphenyl)methylamino]propyl]benzamide CAS Name: 2,4-difluoro-N-[3-oxo-3-[[4-(1-pyrrolidinylsulfonyl)phenyl]methylamino]propyl]benzamide IUPAC Name: 2,4-difluoro-N-[3-oxo-3-[(4-pyrrolidin-1-ylsulfonylphenyl)methylamino]propyl]benzamide Traditional Name: 2,4-difluoro-N-[3-keto-3-[(4-pyrrolidinosulfonylbenzyl)amino]propyl]benzamide Formula: C21H23F2N3O4S MolecularWeight: 451.486826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CNC(=O)CCNC(=O)C3=C(C=C(C=C3)F)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CNC(=O)CCNC(=O)C3=C(C=C(C=C3)F)F

InChI

InChI=1S/C21H23F2N3O4S/c22-16-5-8-18(19(23)13-16)21(28)24-10-9-20(27)25-14-15-3-6-17(7-4-15)31(29,30)26-11-1-2-12-26/h3-8,13H,1-2,9-12,14H2,(H,24,28)(H,25,27)