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

Systemtic Name: N,N-dimethyl-4-morpholin-4-yl-3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: N,N-dimethyl-4-morpholino-3-[4-(2-thienylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: N,N-dimethyl-4-(4-morpholinyl)-3-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: N,N-dimethyl-4-morpholin-4-yl-3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: N,N-dimethyl-4-morpholino-3-[4-(2-thenyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C22H31N4O4S2+ MolecularWeight: 479.63594

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)C(=O)N3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)C(=O)N3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C22H30N4O4S2/c1-23(2)32(28,29)19-5-6-21(25-11-13-30-14-12-25)20(16-19)22(27)26-9-7-24(8-10-26)17-18-4-3-15-31-18/h3-6,15-16H,7-14,17H2,1-2H3/p+1