4-[2-[(4-methoxy-3-nitro-phenyl)sulfonylamino]ethyl]benzoic acid

Systemtic Name: 4-[2-[(4-methoxy-3-nitro-phenyl)sulfonylamino]ethyl]benzoic acid Openeye Name: 4-[2-[(4-methoxy-3-nitro-phenyl)sulfonylamino]ethyl]benzoic acid CAS Name: 4-[2-[(4-methoxy-3-nitrophenyl)sulfonylamino]ethyl]benzoic acid IUPAC Name: 4-[2-[(4-methoxy-3-nitrophenyl)sulfonylamino]ethyl]benzoic acid Traditional Name: 4-[2-[(4-methoxy-3-nitro-phenyl)sulfonylamino]ethyl]benzoic acid Formula: C16H16N2O7S MolecularWeight: 380.37244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O7S/c1-25-15-7-6-13(10-14(15)18(21)22)26(23,24)17-9-8-11-2-4-12(5-3-11)16(19)20/h2-7,10,17H,8-9H2,1H3,(H,19,20)