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

Systemtic Name: 2-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-3-methyl-1-benzofuran-6-yl]-quinolin-8-ylsulfonyl-amino]ethanoic acid Openeye Name: 2-[[2-[(4-carbamimidoylanilino)methyl]-3-methyl-benzofuran-6-yl]-(8-quinolylsulfonyl)amino]acetic acid CAS Name: 2-[[2-[(4-carbamimidoylanilino)methyl]-3-methyl-6-benzofuranyl]-(8-quinolinylsulfonyl)amino]acetic acid IUPAC Name: 2-[[2-[(4-carbamimidoylanilino)methyl]-3-methyl-1-benzofuran-6-yl]-quinolin-8-ylsulfonylamino]acetic acid Traditional Name: 2-[[2-[(4-amidinoanilino)methyl]-3-methyl-benzofuran-6-yl]-(8-quinolylsulfonyl)amino]acetic acid Formula: C28H25N5O5S MolecularWeight: 543.5936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC(=C2)N(CC(=O)O)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)CNC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CC1=C(OC2=C1C=CC(=C2)N(CC(=O)O)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)CNC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C28H25N5O5S/c1-17-22-12-11-21(14-23(22)38-24(17)15-32-20-9-7-19(8-10-20)28(29)30)33(16-26(34)35)39(36,37)25-6-2-4-18-5-3-13-31-27(18)25/h2-14,32H,15-16H2,1H3,(H3,29,30)(H,34,35)