N-[2-(azepan-1-yl)ethyl]-4-[(4-fluoranyl-3-methyl-phenyl)sulfonylamino]benzamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-4-[(4-fluoranyl-3-methyl-phenyl)sulfonylamino]benzamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-4-[(4-fluoro-3-methyl-phenyl)sulfonylamino]benzamide CAS Name: N-[2-(1-azepanyl)ethyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-4-[(4-fluoro-3-methyl-phenyl)sulfonylamino]benzamide Formula: C22H28FN3O3S MolecularWeight: 433.539423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCCN3CCCCCC3)F

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCCN3CCCCCC3)F

InChI

InChI=1S/C22H28FN3O3S/c1-17-16-20(10-11-21(17)23)30(28,29)25-19-8-6-18(7-9-19)22(27)24-12-15-26-13-4-2-3-5-14-26/h6-11,16,25H,2-5,12-15H2,1H3,(H,24,27)