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

Systemtic Name: [2-(1-methyl-2-phenyl-indol-3-yl)-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [2-(1-methyl-2-phenyl-indol-3-yl)-2-oxo-ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [2-(1-methyl-2-phenyl-3-indolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-keto-2-(1-methyl-2-phenyl-indol-3-yl)ethyl] ester Formula: C25H20ClNO5S MolecularWeight: 481.948

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)COC(=O)C4=C(C=CC(=C4)S(=O)(=O)C)Cl

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)COC(=O)C4=C(C=CC(=C4)S(=O)(=O)C)Cl

InChI

InChI=1S/C25H20ClNO5S/c1-27-21-11-7-6-10-18(21)23(24(27)16-8-4-3-5-9-16)22(28)15-32-25(29)19-14-17(33(2,30)31)12-13-20(19)26/h3-14H,15H2,1-2H3