3-[(5-azanylpyrazol-1-yl)methyl]benzenesulfonic acid

Systemtic Name: 3-[(5-azanylpyrazol-1-yl)methyl]benzenesulfonic acid Openeye Name: 3-[(5-aminopyrazol-1-yl)methyl]benzenesulfonic acid CAS Name: 3-[(5-amino-1-pyrazolyl)methyl]benzenesulfonic acid IUPAC Name: 3-[(5-aminopyrazol-1-yl)methyl]benzenesulfonic acid Traditional Name: 3-[(5-aminopyrazol-1-yl)methyl]besylic acid Formula: C10H11N3O3S MolecularWeight: 253.27764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)CN2C(=CC=N2)N

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)CN2C(=CC=N2)N

InChI

InChI=1S/C10H11N3O3S/c11-10-4-5-12-13(10)7-8-2-1-3-9(6-8)17(14,15)16/h1-6H,7,11H2,(H,14,15,16)