2-[2-nitro-4-[4-[2-oxidanyl-1-(propylsulfonylamino)propan-2-yl]phenyl]phenyl]ethanoic acid

Systemtic Name: 2-[2-nitro-4-[4-[2-oxidanyl-1-(propylsulfonylamino)propan-2-yl]phenyl]phenyl]ethanoic acid Openeye Name: 2-[4-[4-[1-hydroxy-1-methyl-2-(propylsulfonylamino)ethyl]phenyl]-2-nitro-phenyl]acetic acid CAS Name: 2-[4-[4-[2-hydroxy-1-(propylsulfonylamino)propan-2-yl]phenyl]-2-nitrophenyl]acetic acid IUPAC Name: 2-[4-[4-[2-hydroxy-1-(propylsulfonylamino)propan-2-yl]phenyl]-2-nitrophenyl]acetic acid Traditional Name: 2-[4-[4-[1-hydroxy-1-methyl-2-(propylsulfonylamino)ethyl]phenyl]-2-nitro-phenyl]acetic acid Formula: C20H24N2O7S MolecularWeight: 436.47876

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NCC(C)(C1=CC=C(C=C1)C2=CC(=C(C=C2)CC(=O)O)[N+](=O)[O-])O

Isomeric SMILES

CCCS(=O)(=O)NCC(C)(C1=CC=C(C=C1)C2=CC(=C(C=C2)CC(=O)O)[N+](=O)[O-])O

InChI

InChI=1S/C20H24N2O7S/c1-3-10-30(28,29)21-13-20(2,25)17-8-6-14(7-9-17)15-4-5-16(12-19(23)24)18(11-15)22(26)27/h4-9,11,21,25H,3,10,12-13H2,1-2H3,(H,23,24)