ethyl 3-[[4-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[4-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[4-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonylpiperazin-1-ium-1-yl]methyl]benzofuran-2-carboxylate CAS Name: 3-[[4-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-1-piperazin-1-iumyl]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[4-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonylpiperazin-1-ium-1-yl]methyl]coumarilic acid ethyl ester Formula: C22H27N4O6S+ MolecularWeight: 475.53798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+]3CCN(CC3)S(=O)(=O)C4=CN(C(=C4)C(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+]3CCN(CC3)S(=O)(=O)C4=CN(C(=C4)C(=O)N)C

InChI

InChI=1S/C22H26N4O6S/c1-3-31-22(28)20-17(16-6-4-5-7-19(16)32-20)14-25-8-10-26(11-9-25)33(29,30)15-12-18(21(23)27)24(2)13-15/h4-7,12-13H,3,8-11,14H2,1-2H3,(H2,23,27)/p+1