[2-oxidanylidene-2-(2-oxidanylidenepyrrolidin-1-yl)ethyl] 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(2-oxidanylidenepyrrolidin-1-yl)ethyl] 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [2-oxo-2-(2-oxo-1-pyrrolidinyl)ethyl] ester IUPAC Name: [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid [2-keto-2-(2-ketopyrrolidino)ethyl] ester Formula: C19H24N2O6S MolecularWeight: 408.46866

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N3CCCC3=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N3CCCC3=O

InChI

InChI=1S/C19H24N2O6S/c22-17-9-6-12-21(17)18(23)14-27-19(24)15-7-5-8-16(13-15)28(25,26)20-10-3-1-2-4-11-20/h5,7-8,13H,1-4,6,9-12,14H2