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2-[8-[1-benzofuran-2-yl(ethyl)sulfamoyl]-2-(4-carbamimidoylphenyl)-3-methyl-quinolin-6-yl]ethanoic acid

2-[8-[1-benzofuran-2-yl(ethyl)sulfamoyl]-2-(4-carbamimidoylphenyl)-3-methyl-quinolin-6-yl]ethanoic acid

Systemtic Name:2-[8-[1-benzofuran-2-yl(ethyl)sulfamoyl]-2-(4-carbamimidoylphenyl)-3-methyl-quinolin-6-yl]ethanoic acid
Openeye Name:2-[8-[benzofuran-2-yl(ethyl)sulfamoyl]-2-(4-carbamimidoylphenyl)-3-methyl-6-quinolyl]acetic acid
CAS Name:2-[8-[2-benzofuranyl(ethyl)sulfamoyl]-2-(4-carbamimidoylphenyl)-3-methyl-6-quinolinyl]acetic acid
IUPAC Name:2-[8-[1-benzofuran-2-yl(ethyl)sulfamoyl]-2-(4-carbamimidoylphenyl)-3-methylquinolin-6-yl]acetic acid
Traditional Name:2-[2-(4-amidinophenyl)-8-[benzofuran-2-yl(ethyl)sulfamoyl]-3-methyl-6-quinolyl]acetic acid
Formula: C29H26N4O5S
MolecularWeight: 542.60554
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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC2=CC=CC=C2O1)S(=O)(=O)C3=C4C(=CC(=C3)CC(=O)O)C=C(C(=N4)C5=CC=C(C=C5)C(=N)N)C


Isomeric SMILES

CCN(C1=CC2=CC=CC=C2O1)S(=O)(=O)C3=C4C(=CC(=C3)CC(=O)O)C=C(C(=N4)C5=CC=C(C=C5)C(=N)N)C


InChI

InChI=1S/C29H26N4O5S/c1-3-33(25-16-21-6-4-5-7-23(21)38-25)39(36,37)24-14-18(15-26(34)35)13-22-12-17(2)27(32-28(22)24)19-8-10-20(11-9-19)29(30)31/h4-14,16H,3,15H2,1-2H3,(H3,30,31)(H,34,35)


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