4-(3-imidazol-1-ylpropylamino)benzenesulfonic acid

Systemtic Name: 4-(3-imidazol-1-ylpropylamino)benzenesulfonic acid Openeye Name: 4-(3-imidazol-1-ylpropylamino)benzenesulfonic acid CAS Name: 4-[3-(1-imidazolyl)propylamino]benzenesulfonic acid IUPAC Name: 4-(3-imidazol-1-ylpropylamino)benzenesulfonic acid Traditional Name: 4-(3-imidazol-1-ylpropylamino)besylic acid Formula: C12H15N3O3S MolecularWeight: 281.3308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCCCN2C=CN=C2)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NCCCN2C=CN=C2)S(=O)(=O)O

InChI

InChI=1S/C12H15N3O3S/c16-19(17,18)12-4-2-11(3-5-12)14-6-1-8-15-9-7-13-10-15/h2-5,7,9-10,14H,1,6,8H2,(H,16,17,18)