[4-(2-ethylindolizin-1-yl)sulfonyl-2,6-dimethyl-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(2-ethylindolizin-1-yl)sulfonyl-2,6-dimethyl-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-(2-ethylindolizin-1-yl)sulfonyl-2,6-dimethyl-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(2-ethyl-1-indolizinyl)sulfonyl]-2,6-dimethylphenyl] ester IUPAC Name: [4-(2-ethylindolizin-1-yl)sulfonyl-2,6-dimethylphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(2-ethylindolizin-1-yl)sulfonyl-2,6-dimethyl-phenyl] ester Formula: C25H25NO5S2 MolecularWeight: 483.5997

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN2C=CC=CC2=C1S(=O)(=O)C3=CC(=C(C(=C3)C)OS(=O)(=O)C4=CC=C(C=C4)C)C

Isomeric SMILES

CCC1=CN2C=CC=CC2=C1S(=O)(=O)C3=CC(=C(C(=C3)C)OS(=O)(=O)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C25H25NO5S2/c1-5-20-16-26-13-7-6-8-23(26)25(20)32(27,28)22-14-18(3)24(19(4)15-22)31-33(29,30)21-11-9-17(2)10-12-21/h6-16H,5H2,1-4H3