3-[(4-nitrophenyl)sulfonyl-(phenylmethyl)amino]propanoic acid

Systemtic Name: 3-[(4-nitrophenyl)sulfonyl-(phenylmethyl)amino]propanoic acid Openeye Name: 3-[benzyl-(4-nitrophenyl)sulfonyl-amino]propanoic acid CAS Name: 3-[(4-nitrophenyl)sulfonyl-(phenylmethyl)amino]propanoic acid IUPAC Name: 3-[benzyl-(4-nitrophenyl)sulfonylamino]propanoic acid Traditional Name: 3-[benzyl(nosyl)amino]propionic acid Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC(=O)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC(=O)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O6S/c19-16(20)10-11-17(12-13-4-2-1-3-5-13)25(23,24)15-8-6-14(7-9-15)18(21)22/h1-9H,10-12H2,(H,19,20)