(4-indolizin-1-ylsulfonylphenyl) 4-methylbenzenesulfonate

Systemtic Name: (4-indolizin-1-ylsulfonylphenyl) 4-methylbenzenesulfonate Openeye Name: (4-indolizin-1-ylsulfonylphenyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(1-indolizinylsulfonyl)phenyl] ester IUPAC Name: (4-indolizin-1-ylsulfonylphenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-indolizin-1-ylsulfonylphenyl) ester Formula: C21H17NO5S2 MolecularWeight: 427.49338

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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=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H17NO5S2/c1-16-5-9-19(10-6-16)29(25,26)27-17-7-11-18(12-8-17)28(23,24)21-13-15-22-14-3-2-4-20(21)22/h2-15H,1H3