N-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylethyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylethyl]-1-benzofuran-2-carboxamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)sulfonylethyl]benzofuran-2-carboxamide CAS Name: N-[2-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]ethyl]-2-benzofurancarboxamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)sulfonylethyl]-1-benzofuran-2-carboxamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)sulfonylethyl]coumarilamide Formula: C22H26N3O4S+ MolecularWeight: 428.52454

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)CCNC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)CCNC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H25N3O4S/c26-22(21-16-19-8-4-5-9-20(19)29-21)23-10-15-30(27,28)25-13-11-24(12-14-25)17-18-6-2-1-3-7-18/h1-9,16H,10-15,17H2,(H,23,26)/p+1