3-[4-[2-[(4-nitrophenyl)sulfonylamino]ethylsulfanyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-[(4-nitrophenyl)sulfonylamino]ethylsulfanyl]phenyl]propanoic acid Openeye Name: 3-[4-[2-[(4-nitrophenyl)sulfonylamino]ethylsulfanyl]phenyl]propanoic acid CAS Name: 3-[4-[2-[(4-nitrophenyl)sulfonylamino]ethylthio]phenyl]propanoic acid IUPAC Name: 3-[4-[2-[(4-nitrophenyl)sulfonylamino]ethylsulfanyl]phenyl]propanoic acid Traditional Name: 3-[4-[2-(nosylamino)ethylthio]phenyl]propionic acid Formula: C17H18N2O6S2 MolecularWeight: 410.46462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)SCCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)SCCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O6S2/c20-17(21)10-3-13-1-6-15(7-2-13)26-12-11-18-27(24,25)16-8-4-14(5-9-16)19(22)23/h1-2,4-9,18H,3,10-12H2,(H,20,21)