4-[2-(1H-pyrrol-3-ylsulfonylamino)ethyl]benzoic acid

Systemtic Name: 4-[2-(1H-pyrrol-3-ylsulfonylamino)ethyl]benzoic acid Openeye Name: 4-[2-(1H-pyrrol-3-ylsulfonylamino)ethyl]benzoic acid CAS Name: 4-[2-(1H-pyrrol-3-ylsulfonylamino)ethyl]benzoic acid IUPAC Name: 4-[2-(1H-pyrrol-3-ylsulfonylamino)ethyl]benzoic acid Traditional Name: 4-[2-(1H-pyrrol-3-ylsulfonylamino)ethyl]benzoic acid Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNS(=O)(=O)C2=CNC=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCNS(=O)(=O)C2=CNC=C2)C(=O)O

InChI

InChI=1S/C13H14N2O4S/c16-13(17)11-3-1-10(2-4-11)5-8-15-20(18,19)12-6-7-14-9-12/h1-4,6-7,9,14-15H,5,8H2,(H,16,17)