5-[[4-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)phenyl]sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide

Systemtic Name: 5-[[4-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)phenyl]sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide Openeye Name: 5-[[4-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)phenyl]sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide CAS Name: 5-[[4-(2,6-dimethyl-4-phenyl-1-pyridin-1-iumyl)phenyl]sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide IUPAC Name: 5-[[4-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)phenyl]sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide Traditional Name: 5-[[4-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)phenyl]sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide Formula: C21H20N5O4S3+ MolecularWeight: 502.6096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1C2=CC=C(C=C2)S(=O)(=O)NC3=NN=C(S3)S(=O)(=O)N)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC(=[N+]1C2=CC=C(C=C2)S(=O)(=O)NC3=NN=C(S3)S(=O)(=O)N)C)C4=CC=CC=C4

InChI

InChI=1S/C21H20N5O4S3/c1-14-12-17(16-6-4-3-5-7-16)13-15(2)26(14)18-8-10-19(11-9-18)33(29,30)25-20-23-24-21(31-20)32(22,27)28/h3-13H,1-2H3,(H,23,25)(H2,22,27,28)/q+1