2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N-[(1S)-2-methyl-1-phenyl-propyl]ethanamide

Systemtic Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N-[(1S)-2-methyl-1-phenyl-propyl]ethanamide Openeye Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N-[(1S)-2-methyl-1-phenyl-propyl]acetamide CAS Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazin-1-iumyl]-N-[(1S)-2-methyl-1-phenylpropyl]acetamide IUPAC Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N-[(1S)-2-methyl-1-phenylpropyl]acetamide Traditional Name: N-[(1S)-2-methyl-1-phenyl-propyl]-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O3S2/c1-16(2)21(17-7-4-3-5-8-17)23-20(28)15-26-11-13-27(14-12-26)32(29,30)19-10-6-9-18-22(19)25-31-24-18/h3-10,16,21H,11-15H2,1-2H3,(H,23,28)/p+1/t21-/m0/s1