diethyl 2-[[2-(bromomethyl)-1-(phenylsulfonyl)indol-3-yl]methylidene]propanedioate

Systemtic Name: diethyl 2-[[2-(bromomethyl)-1-(phenylsulfonyl)indol-3-yl]methylidene]propanedioate Openeye Name: diethyl 2-[[1-(benzenesulfonyl)-2-(bromomethyl)indol-3-yl]methylene]propanedioate CAS Name: 2-[[1-(benzenesulfonyl)-2-(bromomethyl)-3-indolyl]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[1-(benzenesulfonyl)-2-(bromomethyl)indol-3-yl]methylidene]propanedioate Traditional Name: 2-[[1-besyl-2-(bromomethyl)indol-3-yl]methylene]malonic acid diethyl ester Formula: C23H22BrNO6S MolecularWeight: 520.39288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C(N(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)CBr)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CC1=C(N(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)CBr)C(=O)OCC

InChI

InChI=1S/C23H22BrNO6S/c1-3-30-22(26)19(23(27)31-4-2)14-18-17-12-8-9-13-20(17)25(21(18)15-24)32(28,29)16-10-6-5-7-11-16/h5-14H,3-4,15H2,1-2H3