[2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl] 3,6-bis(chloranyl)-1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl] 3,6-bis(chloranyl)-1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl] 3,6-dichlorobenzothiophene-2-carboxylate CAS Name: 3,6-dichloro-1-benzothiophene-2-carboxylic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 3,6-dichloro-1-benzothiophene-2-carboxylate Traditional Name: 3,6-dichlorobenzothiophene-2-carboxylic acid [2-keto-2-(4-piperidinosulfonylanilino)ethyl] ester Formula: C22H20Cl2N2O5S2 MolecularWeight: 527.4406

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H20Cl2N2O5S2/c23-14-4-9-17-18(12-14)32-21(20(17)24)22(28)31-13-19(27)25-15-5-7-16(8-6-15)33(29,30)26-10-2-1-3-11-26/h4-9,12H,1-3,10-11,13H2,(H,25,27)