2-[[2-[(4-carbamimidoylphenoxy)methyl]-4-methyl-quinolin-7-yl]-quinolin-8-ylsulfonyl-amino]ethanoic acid

Systemtic Name: 2-[[2-[(4-carbamimidoylphenoxy)methyl]-4-methyl-quinolin-7-yl]-quinolin-8-ylsulfonyl-amino]ethanoic acid Openeye Name: 2-[[2-[(4-carbamimidoylphenoxy)methyl]-4-methyl-7-quinolyl]-(8-quinolylsulfonyl)amino]acetic acid CAS Name: 2-[[2-[(4-carbamimidoylphenoxy)methyl]-4-methyl-7-quinolinyl]-(8-quinolinylsulfonyl)amino]acetic acid IUPAC Name: 2-[[2-[(4-carbamimidoylphenoxy)methyl]-4-methylquinolin-7-yl]-quinolin-8-ylsulfonylamino]acetic acid Traditional Name: 2-[[2-[(4-amidinophenoxy)methyl]-4-methyl-7-quinolyl]-(8-quinolylsulfonyl)amino]acetic acid Formula: C29H25N5O5S MolecularWeight: 555.6043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC(=C2)N(CC(=O)O)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)COC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CC1=CC(=NC2=C1C=CC(=C2)N(CC(=O)O)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)COC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C29H25N5O5S/c1-18-14-21(17-39-23-10-7-20(8-11-23)29(30)31)33-25-15-22(9-12-24(18)25)34(16-27(35)36)40(37,38)26-6-2-4-19-5-3-13-32-28(19)26/h2-15H,16-17H2,1H3,(H3,30,31)(H,35,36)