4-[1-(4-aminophenyl)ethylamino]butane-1-sulfonic acid

Systemtic Name: 4-[1-(4-aminophenyl)ethylamino]butane-1-sulfonic acid Openeye Name: 4-[1-(4-aminophenyl)ethylamino]butane-1-sulfonic acid CAS Name: 4-[1-(4-aminophenyl)ethylamino]-1-butanesulfonic acid IUPAC Name: 4-[1-(4-aminophenyl)ethylamino]butane-1-sulfonic acid Traditional Name: 4-[1-(4-aminophenyl)ethylamino]butane-1-sulfonic acid Formula: C12H20N2O3S MolecularWeight: 272.3638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N)NCCCCS(=O)(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)N)NCCCCS(=O)(=O)O

InChI

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