3-[(4-aminophenyl)-butyl-amino]propane-1-sulfonic acid

Systemtic Name: 3-[(4-aminophenyl)-butyl-amino]propane-1-sulfonic acid Openeye Name: 3-(4-amino-N-butyl-anilino)propane-1-sulfonic acid CAS Name: 3-(4-amino-N-butylanilino)-1-propanesulfonic acid IUPAC Name: 3-(4-amino-N-butylanilino)propane-1-sulfonic acid Traditional Name: 3-(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(CCCS(=O)(=O)O)C1=CC=C(C=C1)N

Isomeric SMILES

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

InChI

InChI=1S/C13H22N2O3S/c1-2-3-9-15(10-4-11-19(16,17)18)13-7-5-12(14)6-8-13/h5-8H,2-4,9-11,14H2,1H3,(H,16,17,18)