[4-(2-tert-butylindolizin-1-yl)sulfonylphenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(2-tert-butylindolizin-1-yl)sulfonylphenyl] 4-methylbenzenesulfonate Openeye Name: [4-(2-tert-butylindolizin-1-yl)sulfonylphenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(2-tert-butyl-1-indolizinyl)sulfonyl]phenyl] ester IUPAC Name: [4-(2-tert-butylindolizin-1-yl)sulfonylphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(2-tert-butylindolizin-1-yl)sulfonylphenyl] ester Formula: C25H25NO5S2 MolecularWeight: 483.5997

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)S(=O)(=O)C3=C4C=CC=CN4C=C3C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)S(=O)(=O)C3=C4C=CC=CN4C=C3C(C)(C)C

InChI

InChI=1S/C25H25NO5S2/c1-18-8-12-21(13-9-18)33(29,30)31-19-10-14-20(15-11-19)32(27,28)24-22(25(2,3)4)17-26-16-6-5-7-23(24)26/h5-17H,1-4H3