N-[3-(azepan-1-yl)propyl]-2-[methylsulfonyl-(4-phenoxyphenyl)amino]propanamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[methylsulfonyl-(4-phenoxyphenyl)amino]propanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-(N-methylsulfonyl-4-phenoxy-anilino)propanamide CAS Name: N-[3-(1-azepanyl)propyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-(N-mesyl-4-phenoxy-anilino)propionamide Formula: C25H35N3O4S MolecularWeight: 473.6281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCN1CCCCCC1)N(C2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NCCCN1CCCCCC1)N(C2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C25H35N3O4S/c1-21(25(29)26-17-10-20-27-18-8-3-4-9-19-27)28(33(2,30)31)22-13-15-24(16-14-22)32-23-11-6-5-7-12-23/h5-7,11-16,21H,3-4,8-10,17-20H2,1-2H3,(H,26,29)