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

Systemtic Name: 5-[[4-(2,6-ditert-butyl-4-methyl-pyridin-1-ium-1-yl)phenyl]sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide Openeye Name: 5-[[4-(2,6-ditert-butyl-4-methyl-pyridin-1-ium-1-yl)phenyl]sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide CAS Name: 5-[[4-(2,6-ditert-butyl-4-methyl-1-pyridin-1-iumyl)phenyl]sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide IUPAC Name: 5-[[4-(2,6-ditert-butyl-4-methylpyridin-1-ium-1-yl)phenyl]sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide Traditional Name: 5-[[4-(2,6-ditert-butyl-4-methyl-pyridin-1-ium-1-yl)phenyl]sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide Formula: C22H30N5O4S3+ MolecularWeight: 524.6997

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=C1)C(C)(C)C)C2=CC=C(C=C2)S(=O)(=O)NC3=NN=C(S3)S(=O)(=O)N)C(C)(C)C

Isomeric SMILES

CC1=CC(=[N+](C(=C1)C(C)(C)C)C2=CC=C(C=C2)S(=O)(=O)NC3=NN=C(S3)S(=O)(=O)N)C(C)(C)C

InChI

InChI=1S/C22H30N5O4S3/c1-14-12-17(21(2,3)4)27(18(13-14)22(5,6)7)15-8-10-16(11-9-15)34(30,31)26-19-24-25-20(32-19)33(23,28)29/h8-13H,1-7H3,(H,24,26)(H2,23,28,29)/q+1