[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 4-(2-thienylsulfonylamino)benzoate CAS Name: 4-(thiophen-2-ylsulfonylamino)benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 4-(2-thienylsulfonylamino)benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C22H19N3O5S2 MolecularWeight: 469.53336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C22H19N3O5S2/c23-13-5-14-25(19-6-2-1-3-7-19)20(26)16-30-22(27)17-9-11-18(12-10-17)24-32(28,29)21-8-4-15-31-21/h1-4,6-12,15,24H,5,14,16H2