[2-bromanyl-4-(2-ethylindolizin-3-yl)carbonyl-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-bromanyl-4-(2-ethylindolizin-3-yl)carbonyl-phenyl] 4-methylbenzenesulfonate Openeye Name: [2-bromo-4-(2-ethylindolizine-3-carbonyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-bromo-4-[(2-ethyl-3-indolizinyl)-oxomethyl]phenyl] ester IUPAC Name: [2-bromo-4-(2-ethylindolizine-3-carbonyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-bromo-4-(2-ethylindolizine-3-carbonyl)phenyl] ester Formula: C24H20BrNO4S MolecularWeight: 498.3889

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N2C=CC=CC2=C1)C(=O)C3=CC(=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)C)Br

Isomeric SMILES

CCC1=C(N2C=CC=CC2=C1)C(=O)C3=CC(=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)C)Br

InChI

InChI=1S/C24H20BrNO4S/c1-3-17-14-19-6-4-5-13-26(19)23(17)24(27)18-9-12-22(21(25)15-18)30-31(28,29)20-10-7-16(2)8-11-20/h4-15H,3H2,1-2H3