N-[3-(4-tert-butylpyridin-1-ium-1-yl)-1,4-bis(oxidanylidene)naphthalen-2-yl]thiophene-2-sulfonamide

Systemtic Name: N-[3-(4-tert-butylpyridin-1-ium-1-yl)-1,4-bis(oxidanylidene)naphthalen-2-yl]thiophene-2-sulfonamide Openeye Name: N-[3-(4-tert-butylpyridin-1-ium-1-yl)-1,4-dioxo-2-naphthyl]thiophene-2-sulfonamide CAS Name: N-[3-(4-tert-butyl-1-pyridin-1-iumyl)-1,4-dioxo-2-naphthalenyl]-2-thiophenesulfonamide IUPAC Name: N-[3-(4-tert-butylpyridin-1-ium-1-yl)-1,4-dioxonaphthalen-2-yl]thiophene-2-sulfonamide Traditional Name: N-[3-(4-tert-butylpyridin-1-ium-1-yl)-1,4-diketo-2-naphthyl]thiophene-2-sulfonamide Formula: C23H21N2O4S2+ MolecularWeight: 453.55384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=[N+](C=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NS(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC(C)(C)C1=CC=[N+](C=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NS(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H20N2O4S2/c1-23(2,3)15-10-12-25(13-11-15)20-19(24-31(28,29)18-9-6-14-30-18)21(26)16-7-4-5-8-17(16)22(20)27/h4-14H,1-3H3/p+1