methyl 2-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]phenyl]sulfonylethanoate

Systemtic Name: methyl 2-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]phenyl]sulfonylethanoate Openeye Name: methyl 2-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]phenyl]sulfonylacetate CAS Name: 2-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]phenyl]sulfonylacetic acid methyl ester IUPAC Name: methyl 2-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]phenyl]sulfonylacetate Traditional Name: 2-[4-[5-(4-amidinophenyl)-1H-imidazol-2-yl]phenyl]sulfonylacetic acid methyl ester Formula: C19H18N4O4S MolecularWeight: 398.43562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CS(=O)(=O)C1=CC=C(C=C1)C2=NC=C(N2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CS(=O)(=O)C1=CC=C(C=C1)C2=NC=C(N2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H18N4O4S/c1-27-17(24)11-28(25,26)15-8-6-14(7-9-15)19-22-10-16(23-19)12-2-4-13(5-3-12)18(20)21/h2-10H,11H2,1H3,(H3,20,21)(H,22,23)