4-cyano-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-methyl-5-pyrrol-1-yl-furan-3-carboxamide

Systemtic Name: 4-cyano-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-methyl-5-pyrrol-1-yl-furan-3-carboxamide Openeye Name: 4-cyano-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-methyl-5-pyrrol-1-yl-furan-3-carboxamide CAS Name: 4-cyano-N-[4-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2-methyl-5-(1-pyrrolyl)-3-furancarboxamide IUPAC Name: 4-cyano-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide Traditional Name: 4-cyano-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-methyl-5-pyrrol-1-yl-3-furamide Formula: C23H26N5O4S+ MolecularWeight: 468.54864

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(OC(=C3C#N)N4C=CC=C4)C

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(OC(=C3C#N)N4C=CC=C4)C

InChI

InChI=1S/C23H25N5O4S/c1-3-26-12-14-28(15-13-26)33(30,31)19-8-6-18(7-9-19)25-22(29)21-17(2)32-23(20(21)16-24)27-10-4-5-11-27/h4-11H,3,12-15H2,1-2H3,(H,25,29)/p+1