(2S)-2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N-cyclohexyl-propanamide

Systemtic Name: (2S)-2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N-cyclohexyl-propanamide Openeye Name: (2S)-2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N-cyclohexyl-propanamide CAS Name: (2S)-2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazin-1-iumyl]-N-cyclohexylpropanamide IUPAC Name: (2S)-2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N-cyclohexylpropanamide Traditional Name: (2S)-N-cyclohexyl-2-(4-piazthiol-4-ylsulfonylpiperazin-1-ium-1-yl)propionamide Formula: C19H28N5O3S2+ MolecularWeight: 438.58732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C[C@@H](C(=O)NC1CCCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C19H27N5O3S2/c1-14(19(25)20-15-6-3-2-4-7-15)23-10-12-24(13-11-23)29(26,27)17-9-5-8-16-18(17)22-28-21-16/h5,8-9,14-15H,2-4,6-7,10-13H2,1H3,(H,20,25)/p+1/t14-/m0/s1