(2R)-2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N,N-diethyl-2-phenyl-ethanamide

Systemtic Name: (2R)-2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N,N-diethyl-2-phenyl-ethanamide Openeye Name: (2R)-2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N,N-diethyl-2-phenyl-acetamide CAS Name: (2R)-2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazin-1-iumyl]-N,N-diethyl-2-phenylacetamide IUPAC Name: (2R)-2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N,N-diethyl-2-phenylacetamide Traditional Name: (2R)-N,N-diethyl-2-phenyl-2-(4-piazthiol-4-ylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C22H28N5O3S2+ MolecularWeight: 474.61942

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CCN(CC)C(=O)[C@@H](C1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C22H27N5O3S2/c1-3-25(4-2)22(28)21(17-9-6-5-7-10-17)26-13-15-27(16-14-26)32(29,30)19-12-8-11-18-20(19)24-31-23-18/h5-12,21H,3-4,13-16H2,1-2H3/p+1/t21-/m1/s1