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

Systemtic Name: 3-[4-[2-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]ethylsulfanyl]phenyl]propanoic acid Openeye Name: 3-[4-[2-[(4-chloro-3-nitro-phenyl)sulfonylamino]ethylsulfanyl]phenyl]propanoic acid CAS Name: 3-[4-[2-[(4-chloro-3-nitrophenyl)sulfonylamino]ethylthio]phenyl]propanoic acid IUPAC Name: 3-[4-[2-[(4-chloro-3-nitrophenyl)sulfonylamino]ethylsulfanyl]phenyl]propanoic acid Traditional Name: 3-[4-[2-[(4-chloro-3-nitro-phenyl)sulfonylamino]ethylthio]phenyl]propionic acid Formula: C17H17ClN2O6S2 MolecularWeight: 444.90968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN2O6S2/c18-15-7-6-14(11-16(15)20(23)24)28(25,26)19-9-10-27-13-4-1-12(2-5-13)3-8-17(21)22/h1-2,4-7,11,19H,3,8-10H2,(H,21,22)