4-[1-(4-chlorophenyl)sulfonylpropyl]-5-ethyl-6-(2-nitrophenoxy)isoindole-1,3-dione

Systemtic Name: 4-[1-(4-chlorophenyl)sulfonylpropyl]-5-ethyl-6-(2-nitrophenoxy)isoindole-1,3-dione Openeye Name: 4-[1-(4-chlorophenyl)sulfonylpropyl]-5-ethyl-6-(2-nitrophenoxy)isoindoline-1,3-dione CAS Name: 4-[1-(4-chlorophenyl)sulfonylpropyl]-5-ethyl-6-(2-nitrophenoxy)isoindole-1,3-dione IUPAC Name: 4-[1-(4-chlorophenyl)sulfonylpropyl]-5-ethyl-6-(2-nitrophenoxy)isoindole-1,3-dione Traditional Name: 4-[1-(4-chlorophenyl)sulfonylpropyl]-5-ethyl-6-(2-nitrophenoxy)isoindoline-1,3-quinone Formula: C25H21ClN2O7S MolecularWeight: 528.96144

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1C(CC)S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)NC2=O)OC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C2C(=C1C(CC)S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)NC2=O)OC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C25H21ClN2O7S/c1-3-16-20(35-19-8-6-5-7-18(19)28(31)32)13-17-23(25(30)27-24(17)29)22(16)21(4-2)36(33,34)15-11-9-14(26)10-12-15/h5-13,21H,3-4H2,1-2H3,(H,27,29,30)