(phenylmethyl) 2-[[4-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]phenyl]carbonylamino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[4-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]phenyl]carbonylamino]ethanoate Openeye Name: benzyl 2-[[4-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]benzoyl]amino]acetate CAS Name: 2-[[[4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]phenyl]-oxomethyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzoyl]amino]acetate Traditional Name: 2-[[4-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]benzoyl]amino]acetic acid benzyl ester Formula: C22H19N3O8S MolecularWeight: 485.46656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O8S/c26-20-11-10-18(12-19(20)25(29)30)34(31,32)24-17-8-6-16(7-9-17)22(28)23-13-21(27)33-14-15-4-2-1-3-5-15/h1-12,24,26H,13-14H2,(H,23,28)