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

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[methylsulfonyl-(4-propoxyphenyl)amino]ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-(N-methylsulfonyl-4-propoxy-anilino)acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-(N-mesyl-4-propoxy-anilino)acetamide Formula: C21H35N3O4S MolecularWeight: 425.5853

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N(CC(=O)NCCCN2CCCCCC2)S(=O)(=O)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)N(CC(=O)NCCCN2CCCCCC2)S(=O)(=O)C

InChI

InChI=1S/C21H35N3O4S/c1-3-17-28-20-11-9-19(10-12-20)24(29(2,26)27)18-21(25)22-13-8-16-23-14-6-4-5-7-15-23/h9-12H,3-8,13-18H2,1-2H3,(H,22,25)