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

Systemtic Name: N-[1-[3-(azepan-1-ylsulfonyl)phenyl]carbonylpiperidin-4-yl]-2-fluoranyl-benzamide Openeye Name: N-[1-[3-(azepan-1-ylsulfonyl)benzoyl]-4-piperidyl]-2-fluoro-benzamide CAS Name: N-[1-[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]-4-piperidinyl]-2-fluorobenzamide IUPAC Name: N-[1-[3-(azepan-1-ylsulfonyl)benzoyl]piperidin-4-yl]-2-fluorobenzamide Traditional Name: N-[1-[3-(azepan-1-ylsulfonyl)benzoyl]-4-piperidyl]-2-fluoro-benzamide Formula: C25H30FN3O4S MolecularWeight: 487.586803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCC(CC3)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCC(CC3)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C25H30FN3O4S/c26-23-11-4-3-10-22(23)24(30)27-20-12-16-28(17-13-20)25(31)19-8-7-9-21(18-19)34(32,33)29-14-5-1-2-6-15-29/h3-4,7-11,18,20H,1-2,5-6,12-17H2,(H,27,30)