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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)COC(=O)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)COC(=O)C4=CC=C(C=C4)S(=O)(=O)C

InChI

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