(2-methoxy-2-oxidanylidene-ethyl) 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl) 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: (2-methoxy-2-oxo-ethyl) 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid (2-methoxy-2-oxoethyl) ester IUPAC Name: (2-methoxy-2-oxoethyl) 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid (2-keto-2-methoxy-ethyl) ester Formula: C16H21NO6S MolecularWeight: 355.40604

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

COC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C16H21NO6S/c1-22-15(18)12-23-16(19)13-7-6-8-14(11-13)24(20,21)17-9-4-2-3-5-10-17/h6-8,11H,2-5,9-10,12H2,1H3