4-(2-imidazol-1-ylethylamino)benzenesulfonic acid

Systemtic Name: 4-(2-imidazol-1-ylethylamino)benzenesulfonic acid Openeye Name: 4-(2-imidazol-1-ylethylamino)benzenesulfonic acid CAS Name: 4-[2-(1-imidazolyl)ethylamino]benzenesulfonic acid IUPAC Name: 4-(2-imidazol-1-ylethylamino)benzenesulfonic acid Traditional Name: 4-(2-imidazol-1-ylethylamino)besylic acid Formula: C11H13N3O3S MolecularWeight: 267.30422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCCN2C=CN=C2)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NCCN2C=CN=C2)S(=O)(=O)O

InChI

InChI=1S/C11H13N3O3S/c15-18(16,17)11-3-1-10(2-4-11)13-6-8-14-7-5-12-9-14/h1-5,7,9,13H,6,8H2,(H,15,16,17)