4-[2-(butylamino)ethylamino]benzenesulfonic acid

Systemtic Name: 4-[2-(butylamino)ethylamino]benzenesulfonic acid Openeye Name: 4-[2-(butylamino)ethylamino]benzenesulfonic acid CAS Name: 4-[2-(butylamino)ethylamino]benzenesulfonic acid IUPAC Name: 4-[2-(butylamino)ethylamino]benzenesulfonic acid Traditional Name: 4-[2-(butylamino)ethylamino]besylic acid Formula: C12H20N2O3S MolecularWeight: 272.3638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCNC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCNCCNC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C12H20N2O3S/c1-2-3-8-13-9-10-14-11-4-6-12(7-5-11)18(15,16)17/h4-7,13-14H,2-3,8-10H2,1H3,(H,15,16,17)