[2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl] 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl] 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: (2-indan-5-yl-2-oxo-ethyl) 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid (2-indan-5-yl-2-keto-ethyl) ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

InChI

InChI=1S/C21H20N2O5S/c22-11-2-12-23-29(26,27)19-9-7-16(8-10-19)21(25)28-14-20(24)18-6-5-15-3-1-4-17(15)13-18/h5-10,13,23H,1-4,12,14H2