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

Systemtic Name: 3-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]carbonyl-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-3-[4-(2-morpholino-2-oxo-ethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: 3-[[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-4-iumyl]-oxomethyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: N-benzyl-3-[4-(2-keto-2-morpholino-ethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C24H31N4O5S+ MolecularWeight: 487.59174

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C24H30N4O5S/c29-23(27-13-15-33-16-14-27)19-26-9-11-28(12-10-26)24(30)21-7-4-8-22(17-21)34(31,32)25-18-20-5-2-1-3-6-20/h1-8,17,25H,9-16,18-19H2/p+1