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

Systemtic Name: 2-[2-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]ethylsulfanyl]-2-phenoxy-ethanoic acid Openeye Name: 2-[2-[(4-chloro-3-nitro-phenyl)sulfonylamino]ethylsulfanyl]-2-phenoxy-acetic acid CAS Name: 2-[2-[(4-chloro-3-nitrophenyl)sulfonylamino]ethylthio]-2-phenoxyacetic acid IUPAC Name: 2-[2-[(4-chloro-3-nitrophenyl)sulfonylamino]ethylsulfanyl]-2-phenoxyacetic acid Traditional Name: 2-[2-[(4-chloro-3-nitro-phenyl)sulfonylamino]ethylthio]-2-phenoxy-acetic acid Formula: C16H15ClN2O7S2 MolecularWeight: 446.8825

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN2O7S2/c17-13-7-6-12(10-14(13)19(22)23)28(24,25)18-8-9-27-16(15(20)21)26-11-4-2-1-3-5-11/h1-7,10,16,18H,8-9H2,(H,20,21)