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

Systemtic Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-1,3-benzothiazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoic acid Openeye Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-1,3-benzothiazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid CAS Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-1,3-benzothiazol-5-yl]-(8-quinolinylsulfonyl)amino]acetic acid IUPAC Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-1,3-benzothiazol-5-yl]-quinolin-8-ylsulfonylamino]acetic acid Traditional Name: 2-[[2-(4-amidinobenzyl)-1,3-benzothiazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid Formula: C26H21N5O4S2 MolecularWeight: 531.60604

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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)CC5=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)CC5=CC=C(C=C5)C(=N)N)N=CC=C2

InChI

InChI=1S/C26H21N5O4S2/c27-26(28)18-8-6-16(7-9-18)13-23-30-20-14-19(10-11-21(20)36-23)31(15-24(32)33)37(34,35)22-5-1-3-17-4-2-12-29-25(17)22/h1-12,14H,13,15H2,(H3,27,28)(H,32,33)