[4-(2-cyanophenyl)phenyl]methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate

Systemtic Name: [4-(2-cyanophenyl)phenyl]methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate Openeye Name: [4-(2-cyanophenyl)phenyl]methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoic acid [4-(2-cyanophenyl)phenyl]methyl ester IUPAC Name: [4-(2-cyanophenyl)phenyl]methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate Traditional Name: 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoic acid [4-(2-cyanophenyl)benzyl] ester Formula: C25H25N3O5S MolecularWeight: 479.5481

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)NCCO)C(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)NCCO)C(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C25H25N3O5S/c1-28(2)34(31,32)21-11-12-24(27-13-14-29)23(15-21)25(30)33-17-18-7-9-19(10-8-18)22-6-4-3-5-20(22)16-26/h3-12,15,27,29H,13-14,17H2,1-2H3