(4-oxidanylidene-4-thiophen-2-yl-butyl) 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C20H23NO5S2 MolecularWeight: 421.53032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCCCC(=O)C3=CC=CS3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C20H23NO5S2/c22-18(19-10-6-14-27-19)9-5-13-26-20(23)16-7-4-8-17(15-16)28(24,25)21-11-2-1-3-12-21/h4,6-8,10,14-15H,1-3,5,9,11-13H2