3-oxidanylidenebutan-2-yl 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: 3-oxidanylidenebutan-2-yl 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: (1-methyl-2-oxo-propyl) 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid (2-keto-1-methyl-propyl) ester Formula: C17H23NO5S MolecularWeight: 353.43322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C(=O)C)OC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C17H23NO5S/c1-13(19)14(2)23-17(20)15-8-7-9-16(12-15)24(21,22)18-10-5-3-4-6-11-18/h7-9,12,14H,3-6,10-11H2,1-2H3