N-[2-(azepan-1-ylcarbonyl)phenyl]-2-[(4-fluorophenyl)-thiophen-2-ylsulfonyl-amino]ethanamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-2-[(4-fluorophenyl)-thiophen-2-ylsulfonyl-amino]ethanamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-2-[4-fluoro-N-(2-thienylsulfonyl)anilino]acetamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-2-[4-fluoro-N-(2-thienylsulfonyl)anilino]acetamide Formula: C25H26FN3O4S2 MolecularWeight: 515.620043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=O)CN(C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=O)CN(C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C25H26FN3O4S2/c26-19-11-13-20(14-12-19)29(35(32,33)24-10-7-17-34-24)18-23(30)27-22-9-4-3-8-21(22)25(31)28-15-5-1-2-6-16-28/h3-4,7-14,17H,1-2,5-6,15-16,18H2,(H,27,30)