N-[[4-[[azepan-1-ylcarbonyl-(naphthalen-2-ylsulfonylamino)amino]methyl]phenyl]methyl]ethanamide

Systemtic Name: N-[[4-[[azepan-1-ylcarbonyl-(naphthalen-2-ylsulfonylamino)amino]methyl]phenyl]methyl]ethanamide Openeye Name: N-[[4-[[azepane-1-carbonyl-(2-naphthylsulfonylamino)amino]methyl]phenyl]methyl]acetamide CAS Name: N-[[4-[[[1-azepanyl(oxo)methyl]-(2-naphthalenylsulfonylamino)amino]methyl]phenyl]methyl]acetamide IUPAC Name: N-[[4-[[azepane-1-carbonyl-(naphthalen-2-ylsulfonylamino)amino]methyl]phenyl]methyl]acetamide Traditional Name: N-[4-[[azepane-1-carbonyl-(2-naphthylsulfonylamino)amino]methyl]benzyl]acetamide Formula: C27H32N4O4S MolecularWeight: 508.63238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(C=C1)CN(C(=O)N2CCCCCC2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(=O)NCC1=CC=C(C=C1)CN(C(=O)N2CCCCCC2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H32N4O4S/c1-21(32)28-19-22-10-12-23(13-11-22)20-31(27(33)30-16-6-2-3-7-17-30)29-36(34,35)26-15-14-24-8-4-5-9-25(24)18-26/h4-5,8-15,18,29H,2-3,6-7,16-17,19-20H2,1H3,(H,28,32)