[4-(2-ethylindolizin-1-yl)sulfonyl-2-methyl-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(2-ethylindolizin-1-yl)sulfonyl-2-methyl-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-(2-ethylindolizin-1-yl)sulfonyl-2-methyl-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(2-ethyl-1-indolizinyl)sulfonyl]-2-methylphenyl] ester IUPAC Name: [4-(2-ethylindolizin-1-yl)sulfonyl-2-methylphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(2-ethylindolizin-1-yl)sulfonyl-2-methyl-phenyl] ester Formula: C24H23NO5S2 MolecularWeight: 469.57312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23NO5S2/c1-4-19-16-25-14-6-5-7-22(25)24(19)31(26,27)21-12-13-23(18(3)15-21)30-32(28,29)20-10-8-17(2)9-11-20/h5-16H,4H2,1-3H3