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

Systemtic Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N-tert-butyl-N-(phenylmethyl)ethanamide Openeye Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N-benzyl-N-tert-butyl-acetamide CAS Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazin-1-iumyl]-N-tert-butyl-N-(phenylmethyl)acetamide IUPAC Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N-benzyl-N-tert-butylacetamide Traditional Name: N-benzyl-N-tert-butyl-2-(4-piazthiol-4-ylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C23H30N5O3S2+ MolecularWeight: 488.646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O3S2/c1-23(2,3)28(16-18-8-5-4-6-9-18)21(29)17-26-12-14-27(15-13-26)33(30,31)20-11-7-10-19-22(20)25-32-24-19/h4-11H,12-17H2,1-3H3/p+1