[2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: [2-(dimethylamino)-2-oxo-1-phenyl-ethyl] 4-(2-thienylsulfonylamino)benzoate CAS Name: 4-(thiophen-2-ylsulfonylamino)benzoic acid [2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxo-1-phenylethyl] 4-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 4-(2-thienylsulfonylamino)benzoic acid [2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H20N2O5S2 MolecularWeight: 444.5239

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CN(C)C(=O)C(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H20N2O5S2/c1-23(2)20(24)19(15-7-4-3-5-8-15)28-21(25)16-10-12-17(13-11-16)22-30(26,27)18-9-6-14-29-18/h3-14,19,22H,1-2H3