(3-ethanoyl-2-methyl-1-phenyl-indol-5-yl) 2,4,6-trimethylbenzenesulfonate

Systemtic Name: (3-ethanoyl-2-methyl-1-phenyl-indol-5-yl) 2,4,6-trimethylbenzenesulfonate Openeye Name: (3-acetyl-2-methyl-1-phenyl-indol-5-yl) 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid (3-acetyl-2-methyl-1-phenyl-5-indolyl) ester IUPAC Name: (3-acetyl-2-methyl-1-phenylindol-5-yl) 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid (3-acetyl-2-methyl-1-phenyl-indol-5-yl) ester Formula: C26H25NO4S MolecularWeight: 447.546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC3=C(C=C2)N(C(=C3C(=O)C)C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC3=C(C=C2)N(C(=C3C(=O)C)C)C4=CC=CC=C4)C

InChI

InChI=1S/C26H25NO4S/c1-16-13-17(2)26(18(3)14-16)32(29,30)31-22-11-12-24-23(15-22)25(20(5)28)19(4)27(24)21-9-7-6-8-10-21/h6-15H,1-5H3