magnesium; di(propan-2-yl)azanide; methyl 1-(phenylsulfonyl)-2H-indol-2-ide-3-carboxylate

Systemtic Name: magnesium; di(propan-2-yl)azanide; methyl 1-(phenylsulfonyl)-2H-indol-2-ide-3-carboxylate Openeye Name: magnesium; diisopropylazanide; methyl 1-(benzenesulfonyl)-2H-indol-2-ide-3-carboxylate CAS Name: magnesium; 1-(benzenesulfonyl)-2H-indol-2-ide-3-carboxylic acid methyl ester; di(propan-2-yl)azanide IUPAC Name: magnesium; di(propan-2-yl)azanide; methyl 1-(benzenesulfonyl)-2H-indol-2-ide-3-carboxylate Traditional Name: magnesium; 1-besyl-2H-indol-2-ide-3-carboxylic acid methyl ester; diisopropylazanide Formula: C22H26MgN2O4S MolecularWeight: 438.82284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N-]C(C)C.COC(=O)C1=[C-]N(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3.[Mg+2]

Isomeric SMILES

CC(C)[N-]C(C)C.COC(=O)C1=[C-]N(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3.[Mg+2]

InChI

InChI=1S/C16H12NO4S.C6H14N.Mg/c1-21-16(18)14-11-17(15-10-6-5-9-13(14)15)22(19,20)12-7-3-2-4-8-12;1-5(2)7-6(3)4;/h2-10H,1H3;5-6H,1-4H3;/q2*-1;+2