N-[3-(azepan-1-yl)propyl]-2-[(4-bromophenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[(4-bromophenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-(4-bromo-N-methylsulfonyl-anilino)acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-(4-bromo-N-methylsulfonylanilino)acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-(4-bromo-N-methylsulfonylanilino)acetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-(4-bromo-N-mesyl-anilino)acetamide Formula: C18H28BrN3O3S MolecularWeight: 446.40222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28BrN3O3S/c1-26(24,25)22(17-9-7-16(19)8-10-17)15-18(23)20-11-6-14-21-12-4-2-3-5-13-21/h7-10H,2-6,11-15H2,1H3,(H,20,23)