3-[2-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]benzimidazol-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[2-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]benzimidazol-1-yl]propane-1-sulfonic acid Openeye Name: 3-[2-[3-[(5-carbamimidoyl-2-methylsulfanyl-3-thienyl)sulfonyl]phenyl]benzimidazol-1-yl]propane-1-sulfonic acid CAS Name: 3-[2-[3-[[5-carbamimidoyl-2-(methylthio)-3-thiophenyl]sulfonyl]phenyl]-1-benzimidazolyl]-1-propanesulfonic acid IUPAC Name: 3-[2-[3-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)sulfonylphenyl]benzimidazol-1-yl]propane-1-sulfonic acid Traditional Name: 3-[2-[3-[[5-amidino-2-(methylthio)-3-thienyl]sulfonyl]phenyl]benzimidazol-1-yl]propane-1-sulfonic acid Formula: C22H22N4O5S4 MolecularWeight: 550.69388

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(S1)C(=N)N)S(=O)(=O)C2=CC=CC(=C2)C3=NC4=CC=CC=C4N3CCCS(=O)(=O)O

Isomeric SMILES

CSC1=C(C=C(S1)C(=N)N)S(=O)(=O)C2=CC=CC(=C2)C3=NC4=CC=CC=C4N3CCCS(=O)(=O)O

InChI

InChI=1S/C22H22N4O5S4/c1-32-22-19(13-18(33-22)20(23)24)35(30,31)15-7-4-6-14(12-15)21-25-16-8-2-3-9-17(16)26(21)10-5-11-34(27,28)29/h2-4,6-9,12-13H,5,10-11H2,1H3,(H3,23,24)(H,27,28,29)