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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28BrN3O3S/c1-26(24,25)22(17-9-6-8-16(19)14-17)15-18(23)20-10-7-13-21-11-4-2-3-5-12-21/h6,8-9,14H,2-5,7,10-13,15H2,1H3,(H,20,23)