4-[[5-[3-(4-chlorophenyl)prop-1-ynyl]-3-oxidanylidene-1H-isoindol-2-yl]methyl]benzenesulfonamide

Systemtic Name: 4-[[5-[3-(4-chlorophenyl)prop-1-ynyl]-3-oxidanylidene-1H-isoindol-2-yl]methyl]benzenesulfonamide Openeye Name: 4-[[6-[3-(4-chlorophenyl)prop-1-ynyl]-1-oxo-isoindolin-2-yl]methyl]benzenesulfonamide CAS Name: 4-[[5-[3-(4-chlorophenyl)prop-1-ynyl]-3-oxo-1H-isoindol-2-yl]methyl]benzenesulfonamide IUPAC Name: 4-[[5-[3-(4-chlorophenyl)prop-1-ynyl]-3-oxo-1H-isoindol-2-yl]methyl]benzenesulfonamide Traditional Name: 4-[[6-[3-(4-chlorophenyl)prop-1-ynyl]-1-keto-isoindolin-2-yl]methyl]benzenesulfonamide Formula: C24H19ClN2O3S MolecularWeight: 450.93726

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)C#CCC3=CC=C(C=C3)Cl)C(=O)N1CC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1C2=C(C=C(C=C2)C#CCC3=CC=C(C=C3)Cl)C(=O)N1CC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C24H19ClN2O3S/c25-21-10-5-17(6-11-21)2-1-3-18-4-9-20-16-27(24(28)23(20)14-18)15-19-7-12-22(13-8-19)31(26,29)30/h4-14H,2,15-16H2,(H2,26,29,30)