[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 2-(2-thienylsulfonylamino)benzoate CAS Name: 2-(thiophen-2-ylsulfonylamino)benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 2-(2-thienylsulfonylamino)benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C17H17N3O5S2 MolecularWeight: 407.46398

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=CS2

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C17H17N3O5S2/c1-20(10-5-9-18)15(21)12-25-17(22)13-6-2-3-7-14(13)19-27(23,24)16-8-4-11-26-16/h2-4,6-8,11,19H,5,10,12H2,1H3