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

Systemtic Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N-methyl-N-(phenylmethyl)ethanamide Openeye Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N-benzyl-N-methyl-acetamide CAS Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazin-1-iumyl]-N-methyl-N-(phenylmethyl)acetamide IUPAC Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N-benzyl-N-methylacetamide Traditional Name: N-benzyl-N-methyl-2-(4-piazthiol-4-ylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C20H24N5O3S2+ MolecularWeight: 446.56626

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C20H23N5O3S2/c1-23(14-16-6-3-2-4-7-16)19(26)15-24-10-12-25(13-11-24)30(27,28)18-9-5-8-17-20(18)22-29-21-17/h2-9H,10-15H2,1H3/p+1