sodium 3-(3-ethyl-2-methyl-pyrrolo[3,2-f]benzimidazol-5-yl)propane-1-sulfonate

Systemtic Name: sodium 3-(3-ethyl-2-methyl-pyrrolo[3,2-f]benzimidazol-5-yl)propane-1-sulfonate Openeye Name: sodium 3-(3-ethyl-2-methyl-pyrrolo[3,2-f]benzimidazol-5-yl)propane-1-sulfonate CAS Name: sodium 3-(3-ethyl-2-methyl-5-pyrrolo[3,2-f]benzimidazolyl)-1-propanesulfonate IUPAC Name: sodium 3-(3-ethyl-2-methylpyrrolo[3,2-f]benzimidazol-5-yl)propane-1-sulfonate Traditional Name: sodium 3-(3-ethyl-2-methyl-pyrrolo[3,2-f]benzimidazol-5-yl)propane-1-sulfonate Formula: C15H18N3NaO3S MolecularWeight: 343.37649

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=C1C=C3C(=C2)C=CN3CCCS(=O)(=O)[O-])C.[Na+]

Isomeric SMILES

CCN1C(=NC2=C1C=C3C(=C2)C=CN3CCCS(=O)(=O)[O-])C.[Na+]

InChI

InChI=1S/C15H19N3O3S.Na/c1-3-18-11(2)16-13-9-12-5-7-17(14(12)10-15(13)18)6-4-8-22(19,20)21;/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,19,20,21);/q;+1/p-1