N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-cyclopropyl-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-cyclopropyl-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[(2-chloro-6-fluoro-phenyl)methyl]-N-cyclopropyl-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(2-chloro-6-fluoro-benzyl)-N-cyclopropyl-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C21H21ClFN3O4S MolecularWeight: 465.925543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC2=C(C=CC=C2Cl)F)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4

Isomeric SMILES

C1CC1N(CC2=C(C=CC=C2Cl)F)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4

InChI

InChI=1S/C21H21ClFN3O4S/c22-18-5-2-6-19(23)17(18)12-26(15-7-8-15)21(28)14-3-1-4-16(11-14)31(29,30)25-10-9-24-20(27)13-25/h1-6,11,15H,7-10,12-13H2,(H,24,27)