sodium 2-azanyl-5-bromanyl-3-thiophen-2-yl-benzenesulfonate

Systemtic Name: sodium 2-azanyl-5-bromanyl-3-thiophen-2-yl-benzenesulfonate Openeye Name: sodium 2-amino-5-bromo-3-(2-thienyl)benzenesulfonate CAS Name: sodium 2-amino-5-bromo-3-thiophen-2-ylbenzenesulfonate IUPAC Name: sodium 2-amino-5-bromo-3-thiophen-2-ylbenzenesulfonate Traditional Name: sodium 2-amino-5-bromo-3-(2-thienyl)besylate Formula: C10H7BrNNaO3S2 MolecularWeight: 356.19125

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC(=CC(=C2N)S(=O)(=O)[O-])Br.[Na+]

Isomeric SMILES

C1=CSC(=C1)C2=CC(=CC(=C2N)S(=O)(=O)[O-])Br.[Na+]

InChI

InChI=1S/C10H8BrNO3S2.Na/c11-6-4-7(8-2-1-3-16-8)10(12)9(5-6)17(13,14)15;/h1-5H,12H2,(H,13,14,15);/q;+1/p-1