[2-(1-benzothiophen-3-yl)-2-oxidanylidene-ethyl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(1-benzothiophen-3-yl)-2-oxidanylidene-ethyl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(benzothiophen-3-yl)-2-oxo-ethyl] 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid [2-(1-benzothiophen-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(1-benzothiophen-3-yl)-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid [2-(benzothiophen-3-yl)-2-keto-ethyl] ester Formula: C22H20ClNO5S2 MolecularWeight: 477.9809

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)C3=CSC4=CC=CC=C43

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)C3=CSC4=CC=CC=C43

InChI

InChI=1S/C22H20ClNO5S2/c23-19-9-8-15(31(27,28)24-10-4-1-5-11-24)12-17(19)22(26)29-13-20(25)18-14-30-21-7-3-2-6-16(18)21/h2-3,6-9,12,14H,1,4-5,10-11,13H2