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

Systemtic Name: N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]piazthiole-4-sulfonamide Formula: C19H23N4O3S2+ MolecularWeight: 419.54092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH+]2CCOCC2)NS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C[NH+]2CCOCC2)NS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C19H22N4O3S2/c1-14-5-7-15(8-6-14)17(13-23-9-11-26-12-10-23)22-28(24,25)18-4-2-3-16-19(18)21-27-20-16/h2-8,17,22H,9-13H2,1H3/p+1/t17-/m0/s1