3-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]carbonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

Systemtic Name: 3-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]carbonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide Openeye Name: 3-[4-(2-morpholino-2-oxo-ethyl)piperazin-4-ium-1-carbonyl]-N-(2-thienylmethyl)benzenesulfonamide CAS Name: 3-[[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-4-iumyl]-oxomethyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide IUPAC Name: 3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-4-ium-1-carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide Traditional Name: 3-[4-(2-keto-2-morpholino-ethyl)piperazin-4-ium-1-carbonyl]-N-(2-thenyl)benzenesulfonamide Formula: C22H29N4O5S2+ MolecularWeight: 493.61946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NCC4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NCC4=CC=CS4

InChI

InChI=1S/C22H28N4O5S2/c27-21(25-10-12-31-13-11-25)17-24-6-8-26(9-7-24)22(28)18-3-1-5-20(15-18)33(29,30)23-16-19-4-2-14-32-19/h1-5,14-15,23H,6-13,16-17H2/p+1