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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1OC3=CC=CC=C3[N+](=O)[O-])CCCS(=O)(=O)C4=CC=C(C=C4)Cl)C(=O)NC2=O

Isomeric SMILES

CCC1=C2C(=CC(=C1OC3=CC=CC=C3[N+](=O)[O-])CCCS(=O)(=O)C4=CC=C(C=C4)Cl)C(=O)NC2=O

InChI

InChI=1S/C25H21ClN2O7S/c1-2-18-22-19(24(29)27-25(22)30)14-15(23(18)35-21-8-4-3-7-20(21)28(31)32)6-5-13-36(33,34)17-11-9-16(26)10-12-17/h3-4,7-12,14H,2,5-6,13H2,1H3,(H,27,29,30)