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

Systemtic Name: N-[1,4-bis(oxidanylidene)-3-[3-(phenylmethyl)pyridin-1-ium-1-yl]naphthalen-2-yl]thiophene-2-sulfonamide Openeye Name: N-[3-(3-benzylpyridin-1-ium-1-yl)-1,4-dioxo-2-naphthyl]thiophene-2-sulfonamide CAS Name: N-[1,4-dioxo-3-[3-(phenylmethyl)-1-pyridin-1-iumyl]-2-naphthalenyl]-2-thiophenesulfonamide IUPAC Name: N-[3-(3-benzylpyridin-1-ium-1-yl)-1,4-dioxonaphthalen-2-yl]thiophene-2-sulfonamide Traditional Name: N-[3-(3-benzylpyridin-1-ium-1-yl)-1,4-diketo-2-naphthyl]thiophene-2-sulfonamide Formula: C26H19N2O4S2+ MolecularWeight: 487.57006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C[N+](=CC=C2)C3=C(C(=O)C4=CC=CC=C4C3=O)NS(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)CC2=C[N+](=CC=C2)C3=C(C(=O)C4=CC=CC=C4C3=O)NS(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C26H18N2O4S2/c29-25-20-11-4-5-12-21(20)26(30)24(23(25)27-34(31,32)22-13-7-15-33-22)28-14-6-10-19(17-28)16-18-8-2-1-3-9-18/h1-15,17H,16H2/p+1