N-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]-2-fluoranyl-benzamide Openeye Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]thiazol-2-yl]-2-fluoro-benzamide CAS Name: N-[4-[4-(1-azepanylsulfonyl)phenyl]-2-thiazolyl]-2-fluorobenzamide IUPAC Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]-2-fluorobenzamide Traditional Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]thiazol-2-yl]-2-fluoro-benzamide Formula: C22H22FN3O3S2 MolecularWeight: 459.556783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C22H22FN3O3S2/c23-19-8-4-3-7-18(19)21(27)25-22-24-20(15-30-22)16-9-11-17(12-10-16)31(28,29)26-13-5-1-2-6-14-26/h3-4,7-12,15H,1-2,5-6,13-14H2,(H,24,25,27)