ethyl 3-[[4-[(4-sulfamoylphenyl)carbamoyl]piperidin-1-ium-1-yl]methyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[4-[(4-sulfamoylphenyl)carbamoyl]piperidin-1-ium-1-yl]methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[4-[(4-sulfamoylphenyl)carbamoyl]piperidin-1-ium-1-yl]methyl]benzofuran-2-carboxylate CAS Name: 3-[[4-[oxo-(4-sulfamoylanilino)methyl]-1-piperidin-1-iumyl]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-[(4-sulfamoylphenyl)carbamoyl]piperidin-1-ium-1-yl]methyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[4-[(4-sulfamoylphenyl)carbamoyl]piperidin-1-ium-1-yl]methyl]coumarilic acid ethyl ester Formula: C24H28N3O6S+ MolecularWeight: 486.56062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+]3CCC(CC3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+]3CCC(CC3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C24H27N3O6S/c1-2-32-24(29)22-20(19-5-3-4-6-21(19)33-22)15-27-13-11-16(12-14-27)23(28)26-17-7-9-18(10-8-17)34(25,30)31/h3-10,16H,2,11-15H2,1H3,(H,26,28)(H2,25,30,31)/p+1