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

Systemtic Name: diethyl 2-[[1-(phenylsulfonyl)indol-3-yl]methyl]propanedioate Openeye Name: diethyl 2-[[1-(benzenesulfonyl)indol-3-yl]methyl]propanedioate CAS Name: 2-[[1-(benzenesulfonyl)-3-indolyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[1-(benzenesulfonyl)indol-3-yl]methyl]propanedioate Traditional Name: 2-[(1-besylindol-3-yl)methyl]malonic acid diethyl ester Formula: C22H23NO6S MolecularWeight: 429.48612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO6S/c1-3-28-21(24)19(22(25)29-4-2)14-16-15-23(20-13-9-8-12-18(16)20)30(26,27)17-10-6-5-7-11-17/h5-13,15,19H,3-4,14H2,1-2H3