N-[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[(2R)-3-methyl-2-(4-morpholin-4-iumyl)butyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[(2R)-3-methyl-2-morpholin-4-ium-4-ylbutyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]piazthiole-4-sulfonamide Formula: C15H23N4O3S2+ MolecularWeight: 371.49812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNS(=O)(=O)C1=CC=CC2=NSN=C21)[NH+]3CCOCC3

Isomeric SMILES

CC(C)[C@H](CNS(=O)(=O)C1=CC=CC2=NSN=C21)[NH+]3CCOCC3

InChI

InChI=1S/C15H22N4O3S2/c1-11(2)13(19-6-8-22-9-7-19)10-16-24(20,21)14-5-3-4-12-15(14)18-23-17-12/h3-5,11,13,16H,6-10H2,1-2H3/p+1/t13-/m0/s1