[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] 4-(dimethylsulfamoyl)benzoate

Systemtic Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] 4-(dimethylsulfamoyl)benzoate Openeye Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxo-ethyl] 4-(dimethylsulfamoyl)benzoate CAS Name: 4-(dimethylsulfamoyl)benzoic acid [2-[1-(2-cyanoethyl)-3-indolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate Traditional Name: 4-(dimethylsulfamoyl)benzoic acid [2-[1-(2-cyanoethyl)indol-3-yl]-2-keto-ethyl] ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)C2=CN(C3=CC=CC=C32)CCC#N

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)C2=CN(C3=CC=CC=C32)CCC#N

InChI

InChI=1S/C22H21N3O5S/c1-24(2)31(28,29)17-10-8-16(9-11-17)22(27)30-15-21(26)19-14-25(13-5-12-23)20-7-4-3-6-18(19)20/h3-4,6-11,14H,5,13,15H2,1-2H3