1-[(4-aminophenyl)-butyl-amino]propane-1-sulfonic acid

Systemtic Name: 1-[(4-aminophenyl)-butyl-amino]propane-1-sulfonic acid Openeye Name: 1-(4-amino-N-butyl-anilino)propane-1-sulfonic acid CAS Name: 1-(4-amino-N-butylanilino)-1-propanesulfonic acid IUPAC Name: 1-(4-amino-N-butylanilino)propane-1-sulfonic acid Traditional Name: 1-(4-amino-N-butyl-anilino)propane-1-sulfonic acid Formula: C13H22N2O3S MolecularWeight: 286.39038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=C(C=C1)N)C(CC)S(=O)(=O)O

Isomeric SMILES

CCCCN(C1=CC=C(C=C1)N)C(CC)S(=O)(=O)O

InChI

InChI=1S/C13H22N2O3S/c1-3-5-10-15(13(4-2)19(16,17)18)12-8-6-11(14)7-9-12/h6-9,13H,3-5,10,14H2,1-2H3,(H,16,17,18)