3-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-(methylsulfonylamino)phenyl]propanoic acid

Systemtic Name: 3-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-(methylsulfonylamino)phenyl]propanoic acid Openeye Name: 3-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-(methanesulfonamido)phenyl]propanoic acid CAS Name: 3-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-(methanesulfonamido)phenyl]propanoic acid IUPAC Name: 3-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-(methanesulfonamido)phenyl]propanoic acid Traditional Name: 3-[4-[5-(4-amidinophenyl)-1H-imidazol-2-yl]-2-(methanesulfonamido)phenyl]propionic acid Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=CC(=C1)C2=NC=C(N2)C3=CC=C(C=C3)C(=N)N)CCC(=O)O

Isomeric SMILES

CS(=O)(=O)NC1=C(C=CC(=C1)C2=NC=C(N2)C3=CC=C(C=C3)C(=N)N)CCC(=O)O

InChI

InChI=1S/C20H21N5O4S/c1-30(28,29)25-16-10-15(7-4-12(16)8-9-18(26)27)20-23-11-17(24-20)13-2-5-14(6-3-13)19(21)22/h2-7,10-11,25H,8-9H2,1H3,(H3,21,22)(H,23,24)(H,26,27)