[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate CAS Name: 2-[(2,5-dimethylphenyl)sulfonylamino]benzoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate Traditional Name: 2-[(2,5-dimethylphenyl)sulfonylamino]benzoic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)NCC3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)NCC3=CC=CS3

InChI

InChI=1S/C22H22N2O5S2/c1-15-9-10-16(2)20(12-15)31(27,28)24-19-8-4-3-7-18(19)22(26)29-14-21(25)23-13-17-6-5-11-30-17/h3-12,24H,13-14H2,1-2H3,(H,23,25)