[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] 2-(2-thienylsulfonylamino)benzoate CAS Name: 2-(thiophen-2-ylsulfonylamino)benzoic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 2-(2-thienylsulfonylamino)benzoic acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C21H20N2O5S2 MolecularWeight: 444.5239

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H20N2O5S2/c1-14-7-5-8-15(2)20(14)22-18(24)13-28-21(25)16-9-3-4-10-17(16)23-30(26,27)19-11-6-12-29-19/h3-12,23H,13H2,1-2H3,(H,22,24)