N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]-1-benzofuran-2-carboxamide Openeye Name: N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]benzofuran-2-carboxamide CAS Name: N-[2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]ethyl]-2-benzofurancarboxamide IUPAC Name: N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]-1-benzofuran-2-carboxamide Traditional Name: N-[2-(4-pyridin-1-ium-2-ylpiperazino)sulfonylethyl]coumarilamide Formula: C20H23N4O4S+ MolecularWeight: 415.48602

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CCNC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CCNC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C20H22N4O4S/c25-20(18-15-16-5-1-2-6-17(16)28-18)22-9-14-29(26,27)24-12-10-23(11-13-24)19-7-3-4-8-21-19/h1-8,15H,9-14H2,(H,22,25)/p+1