sodium 2-isoquinolin-1-yl-5-phenyl-4-sulfo-1H-pyrrole-3-carboxylic acid

Systemtic Name: sodium 2-isoquinolin-1-yl-5-phenyl-4-sulfo-1H-pyrrole-3-carboxylic acid Openeye Name: sodium 2-(1-isoquinolyl)-5-phenyl-4-sulfo-1H-pyrrole-3-carboxylic acid CAS Name: sodium 2-(1-isoquinolinyl)-5-phenyl-4-sulfo-1H-pyrrole-3-carboxylic acid IUPAC Name: sodium 2-isoquinolin-1-yl-5-phenyl-4-sulfo-1H-pyrrole-3-carboxylic acid Traditional Name: sodium 2-(1-isoquinolyl)-5-phenyl-4-sulfo-1H-pyrrole-3-carboxylic acid Formula: C20H14N2NaO5S+ MolecularWeight: 417.39033

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=C(N2)C3=NC=CC4=CC=CC=C43)C(=O)O)S(=O)(=O)O.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=C(N2)C3=NC=CC4=CC=CC=C43)C(=O)O)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C20H14N2O5S.Na/c23-20(24)15-18(17-14-9-5-4-6-12(14)10-11-21-17)22-16(19(15)28(25,26)27)13-7-2-1-3-8-13;/h1-11,22H,(H,23,24)(H,25,26,27);/q;+1