(2-oxidanylidene-2-thiophen-2-yl-ethyl) 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C19H21NO5S2 MolecularWeight: 407.50374

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C3=CC=CS3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C3=CC=CS3

InChI

InChI=1S/C19H21NO5S2/c21-17(18-9-6-12-26-18)14-25-19(22)15-7-5-8-16(13-15)27(23,24)20-10-3-1-2-4-11-20/h5-9,12-13H,1-4,10-11,14H2