[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 4-methylsulfonylbenzoate

Systemtic Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenyl-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-(7-ethyl-1H-indol-3-yl)-2-keto-1-phenyl-ethyl] ester Formula: C26H23NO5S MolecularWeight: 461.52952

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)C(C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)C(C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C26H23NO5S/c1-3-17-10-7-11-21-22(16-27-23(17)21)24(28)25(18-8-5-4-6-9-18)32-26(29)19-12-14-20(15-13-19)33(2,30)31/h4-16,25,27H,3H2,1-2H3