5-methyl-4-(4-phenethylpiperazin-4-ium-1-yl)sulfonyl-2,1,3-benzothiadiazole

Systemtic Name: 5-methyl-4-(4-phenethylpiperazin-4-ium-1-yl)sulfonyl-2,1,3-benzothiadiazole Openeye Name: 5-methyl-4-(4-phenethylpiperazin-4-ium-1-yl)sulfonyl-2,1,3-benzothiadiazole CAS Name: 5-methyl-4-[(4-phenethyl-1-piperazin-4-iumyl)sulfonyl]-2,1,3-benzothiadiazole IUPAC Name: 5-methyl-4-(4-phenethylpiperazin-4-ium-1-yl)sulfonyl-2,1,3-benzothiadiazole Traditional Name: 5-methyl-4-(4-phenethylpiperazin-4-ium-1-yl)sulfonyl-piazthiole Formula: C19H23N4O2S2+ MolecularWeight: 403.54152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NSN=C2C=C1)S(=O)(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=NSN=C2C=C1)S(=O)(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C19H22N4O2S2/c1-15-7-8-17-18(21-26-20-17)19(15)27(24,25)23-13-11-22(12-14-23)10-9-16-5-3-2-4-6-16/h2-8H,9-14H2,1H3/p+1