2-[[methyl-[(6-sulfo-1H-benzimidazol-2-yl)methyl]amino]methyl]-3H-benzimidazole-5-sulfonic acid

Systemtic Name: 2-[[methyl-[(6-sulfo-1H-benzimidazol-2-yl)methyl]amino]methyl]-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-[[methyl-[(6-sulfo-1H-benzimidazol-2-yl)methyl]amino]methyl]-3H-benzimidazole-5-sulfonic acid CAS Name: 2-[[methyl-[(6-sulfo-1H-benzimidazol-2-yl)methyl]amino]methyl]-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-[[methyl-[(6-sulfo-1H-benzimidazol-2-yl)methyl]amino]methyl]-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-[[methyl-[(6-sulfo-1H-benzimidazol-2-yl)methyl]amino]methyl]-3H-benzimidazole-5-sulfonic acid Formula: C17H17N5O6S2 MolecularWeight: 451.47678

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)O)CC3=NC4=C(N3)C=C(C=C4)S(=O)(=O)O

Isomeric SMILES

CN(CC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)O)CC3=NC4=C(N3)C=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C17H17N5O6S2/c1-22(8-16-18-12-4-2-10(29(23,24)25)6-14(12)20-16)9-17-19-13-5-3-11(30(26,27)28)7-15(13)21-17/h2-7H,8-9H2,1H3,(H,18,20)(H,19,21)(H,23,24,25)(H,26,27,28)