ethyl 2-[2-nitro-4-[4-[2-oxidanyl-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenyl]ethanoate

Systemtic Name: ethyl 2-[2-nitro-4-[4-[2-oxidanyl-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenyl]ethanoate Openeye Name: ethyl 2-[4-[4-[1-hydroxy-2-(isopropylsulfonylamino)-1-methyl-ethyl]phenyl]-2-nitro-phenyl]acetate CAS Name: 2-[4-[4-[2-hydroxy-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]-2-nitrophenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[4-[2-hydroxy-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]-2-nitrophenyl]acetate Traditional Name: 2-[4-[4-[1-hydroxy-2-(isopropylsulfonylamino)-1-methyl-ethyl]phenyl]-2-nitro-phenyl]acetic acid ethyl ester Formula: C22H28N2O7S MolecularWeight: 464.53192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(C=C(C=C1)C2=CC=C(C=C2)C(C)(CNS(=O)(=O)C(C)C)O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC1=C(C=C(C=C1)C2=CC=C(C=C2)C(C)(CNS(=O)(=O)C(C)C)O)[N+](=O)[O-]

InChI

InChI=1S/C22H28N2O7S/c1-5-31-21(25)13-18-7-6-17(12-20(18)24(27)28)16-8-10-19(11-9-16)22(4,26)14-23-32(29,30)15(2)3/h6-12,15,23,26H,5,13-14H2,1-4H3