[2-oxidanylidene-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-keto-2-(2-phenyl-1H-indol-3-yl)ethyl] ester Formula: C25H21NO5S MolecularWeight: 447.50294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C25H21NO5S/c1-16-12-13-18(32(2,29)30)14-20(16)25(28)31-15-22(27)23-19-10-6-7-11-21(19)26-24(23)17-8-4-3-5-9-17/h3-14,26H,15H2,1-2H3