(2R)-2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-1-morpholin-4-yl-2-phenyl-ethanone

Systemtic Name: (2R)-2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-1-morpholin-4-yl-2-phenyl-ethanone Openeye Name: (2R)-2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-1-morpholino-2-phenyl-ethanone CAS Name: (2R)-2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazin-1-iumyl]-1-(4-morpholinyl)-2-phenylethanone IUPAC Name: (2R)-2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-1-morpholin-4-yl-2-phenylethanone Traditional Name: (2R)-1-morpholino-2-phenyl-2-(4-piazthiol-4-ylsulfonylpiperazin-1-ium-1-yl)ethanone Formula: C22H26N5O4S2+ MolecularWeight: 488.60294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C(=O)N3CCOCC3)S(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CC=CC=C2)C(=O)N3CCOCC3)S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C22H25N5O4S2/c28-22(26-13-15-31-16-14-26)21(17-5-2-1-3-6-17)25-9-11-27(12-10-25)33(29,30)19-8-4-7-18-20(19)24-32-23-18/h1-8,21H,9-16H2/p+1/t21-/m1/s1