N-[3-(azepan-1-yl)propyl]-2-[(4-iodophenyl)-(phenylsulfonyl)amino]ethanamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[(4-iodophenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-[N-(benzenesulfonyl)-4-iodo-anilino]acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-[N-(benzenesulfonyl)-4-iodoanilino]acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-[N-(benzenesulfonyl)-4-iodoanilino]acetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-(N-besyl-4-iodo-anilino)acetamide Formula: C23H30IN3O3S MolecularWeight: 555.47207

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCNC(=O)CN(C2=CC=C(C=C2)I)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)CCCNC(=O)CN(C2=CC=C(C=C2)I)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H30IN3O3S/c24-20-11-13-21(14-12-20)27(31(29,30)22-9-4-3-5-10-22)19-23(28)25-15-8-18-26-16-6-1-2-7-17-26/h3-5,9-14H,1-2,6-8,15-19H2,(H,25,28)