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

Systemtic Name: 5-[[4-(4-phenyl-2,6-dipropyl-pyridin-1-ium-1-yl)phenyl]sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide Openeye Name: 5-[[4-(4-phenyl-2,6-dipropyl-pyridin-1-ium-1-yl)phenyl]sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide CAS Name: 5-[[4-(4-phenyl-2,6-dipropyl-1-pyridin-1-iumyl)phenyl]sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide IUPAC Name: 5-[[4-(4-phenyl-2,6-dipropylpyridin-1-ium-1-yl)phenyl]sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide Traditional Name: 5-[[4-(4-phenyl-2,6-dipropyl-pyridin-1-ium-1-yl)phenyl]sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide Formula: C25H28N5O4S3+ MolecularWeight: 558.71592

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC(=[N+]1C2=CC=C(C=C2)S(=O)(=O)NC3=NN=C(S3)S(=O)(=O)N)CCC)C4=CC=CC=C4

Isomeric SMILES

CCCC1=CC(=CC(=[N+]1C2=CC=C(C=C2)S(=O)(=O)NC3=NN=C(S3)S(=O)(=O)N)CCC)C4=CC=CC=C4

InChI

InChI=1S/C25H28N5O4S3/c1-3-8-21-16-19(18-10-6-5-7-11-18)17-22(9-4-2)30(21)20-12-14-23(15-13-20)37(33,34)29-24-27-28-25(35-24)36(26,31)32/h5-7,10-17H,3-4,8-9H2,1-2H3,(H,27,29)(H2,26,31,32)/q+1