2-[[2-[(4-carbamimidoylphenoxy)methyl]-1,3-benzothiazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoic acid

Systemtic Name: 2-[[2-[(4-carbamimidoylphenoxy)methyl]-1,3-benzothiazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoic acid Openeye Name: 2-[[2-[(4-carbamimidoylphenoxy)methyl]-1,3-benzothiazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid CAS Name: 2-[[2-[(4-carbamimidoylphenoxy)methyl]-1,3-benzothiazol-5-yl]-(8-quinolinylsulfonyl)amino]acetic acid IUPAC Name: 2-[[2-[(4-carbamimidoylphenoxy)methyl]-1,3-benzothiazol-5-yl]-quinolin-8-ylsulfonylamino]acetic acid Traditional Name: 2-[[2-[(4-amidinophenoxy)methyl]-1,3-benzothiazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid Formula: C26H21N5O5S2 MolecularWeight: 547.60544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)S(=O)(=O)N(CC(=O)O)C3=CC4=C(C=C3)SC(=N4)COC5=CC=C(C=C5)C(=N)N)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)S(=O)(=O)N(CC(=O)O)C3=CC4=C(C=C3)SC(=N4)COC5=CC=C(C=C5)C(=N)N)N=CC=C2

InChI

InChI=1S/C26H21N5O5S2/c27-26(28)17-6-9-19(10-7-17)36-15-23-30-20-13-18(8-11-21(20)37-23)31(14-24(32)33)38(34,35)22-5-1-3-16-4-2-12-29-25(16)22/h1-13H,14-15H2,(H3,27,28)(H,32,33)