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

Systemtic Name: 2-[(4-iodophenyl)-(phenylsulfonyl)amino]-N-[3-(4-methylpiperazin-1-yl)propyl]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-4-iodo-anilino]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide CAS Name: 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[3-(4-methyl-1-piperazinyl)propyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide Traditional Name: 2-(N-besyl-4-iodo-anilino)-N-[3-(4-methylpiperazino)propyl]acetamide Formula: C22H29IN4O3S MolecularWeight: 556.46013

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNC(=O)CN(C2=CC=C(C=C2)I)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1)CCCNC(=O)CN(C2=CC=C(C=C2)I)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H29IN4O3S/c1-25-14-16-26(17-15-25)13-5-12-24-22(28)18-27(20-10-8-19(23)9-11-20)31(29,30)21-6-3-2-4-7-21/h2-4,6-11H,5,12-18H2,1H3,(H,24,28)