3-(azepan-1-ylcarbonyl)-4-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-4-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-4-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-4-methoxy-N-[3-(4-methyl-1-piperazinyl)propyl]benzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-4-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-4-methoxy-N-[3-(4-methylpiperazino)propyl]benzenesulfonamide Formula: C22H36N4O4S MolecularWeight: 452.61064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNS(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCCC3

Isomeric SMILES

CN1CCN(CC1)CCCNS(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCCC3

InChI

InChI=1S/C22H36N4O4S/c1-24-14-16-25(17-15-24)11-7-10-23-31(28,29)19-8-9-21(30-2)20(18-19)22(27)26-12-5-3-4-6-13-26/h8-9,18,23H,3-7,10-17H2,1-2H3