3-[[(1S)-1-(4-nitrophenyl)ethyl]amino]propane-1-sulfonic acid

Systemtic Name: 3-[[(1S)-1-(4-nitrophenyl)ethyl]amino]propane-1-sulfonic acid Openeye Name: 3-[[(1S)-1-(4-nitrophenyl)ethyl]amino]propane-1-sulfonic acid CAS Name: 3-[[(1S)-1-(4-nitrophenyl)ethyl]amino]-1-propanesulfonic acid IUPAC Name: 3-[[(1S)-1-(4-nitrophenyl)ethyl]amino]propane-1-sulfonic acid Traditional Name: 3-[[(1S)-1-(4-nitrophenyl)ethyl]amino]propane-1-sulfonic acid Formula: C11H16N2O5S MolecularWeight: 288.32014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)[N+](=O)[O-])NCCCS(=O)(=O)O

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)[N+](=O)[O-])NCCCS(=O)(=O)O

InChI

InChI=1S/C11H16N2O5S/c1-9(12-7-2-8-19(16,17)18)10-3-5-11(6-4-10)13(14)15/h3-6,9,12H,2,7-8H2,1H3,(H,16,17,18)/t9-/m0/s1