N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[4-(morpholin-4-ium-4-ylmethyl)benzyl]piazthiole-4-sulfonamide Formula: C18H21N4O3S2+ MolecularWeight: 405.51434

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)CNS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)CNS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C18H20N4O3S2/c23-27(24,17-3-1-2-16-18(17)21-26-20-16)19-12-14-4-6-15(7-5-14)13-22-8-10-25-11-9-22/h1-7,19H,8-13H2/p+1