2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone

Systemtic Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone Openeye Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone CAS Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazin-1-iumyl]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone IUPAC Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone Traditional Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-piazthiol-4-ylsulfonylpiperazin-1-ium-1-yl)ethanone Formula: C18H22N5O3S2+ MolecularWeight: 420.52898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CC1=CC(=C(N1)C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C18H21N5O3S2/c1-12-10-14(13(2)19-12)16(24)11-22-6-8-23(9-7-22)28(25,26)17-5-3-4-15-18(17)21-27-20-15/h3-5,10,19H,6-9,11H2,1-2H3/p+1