3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[2-[(2-fluorophenyl)methylthio]ethyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-[(2-fluorobenzyl)thio]ethyl]benzamide Formula: C22H26ClFN2O3S2 MolecularWeight: 485.034843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCSCC3=CC=CC=C3F)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCSCC3=CC=CC=C3F)Cl

InChI

InChI=1S/C22H26ClFN2O3S2/c23-19-10-9-17(15-21(19)31(28,29)26-12-5-1-2-6-13-26)22(27)25-11-14-30-16-18-7-3-4-8-20(18)24/h3-4,7-10,15H,1-2,5-6,11-14,16H2,(H,25,27)