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

Systemtic Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-3-methyl-1-benzofuran-6-yl]-quinolin-8-ylsulfonyl-amino]ethanoic acid Openeye Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-3-methyl-benzofuran-6-yl]-(8-quinolylsulfonyl)amino]acetic acid CAS Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-3-methyl-6-benzofuranyl]-(8-quinolinylsulfonyl)amino]acetic acid IUPAC Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-3-methyl-1-benzofuran-6-yl]-quinolin-8-ylsulfonylamino]acetic acid Traditional Name: 2-[[2-(4-amidinobenzyl)-3-methyl-benzofuran-6-yl]-(8-quinolylsulfonyl)amino]acetic acid Formula: C28H24N4O5S MolecularWeight: 528.57896

Click to see the large picture

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)CC5=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)CC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C28H24N4O5S/c1-17-22-12-11-21(15-24(22)37-23(17)14-18-7-9-20(10-8-18)28(29)30)32(16-26(33)34)38(35,36)25-6-2-4-19-5-3-13-31-27(19)25/h2-13,15H,14,16H2,1H3,(H3,29,30)(H,33,34)