N-[3-(azepan-1-yl)propyl]-2-[methylsulfonyl(phenyl)amino]ethanamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[methylsulfonyl(phenyl)amino]ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-(N-methylsulfonylanilino)acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-(N-methylsulfonylanilino)acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-(N-methylsulfonylanilino)acetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-(N-mesylanilino)acetamide Formula: C18H29N3O3S MolecularWeight: 367.50616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCCN1CCCCCC1)C2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCCN1CCCCCC1)C2=CC=CC=C2

InChI

InChI=1S/C18H29N3O3S/c1-25(23,24)21(17-10-5-4-6-11-17)16-18(22)19-12-9-15-20-13-7-2-3-8-14-20/h4-6,10-11H,2-3,7-9,12-16H2,1H3,(H,19,22)