(3,3-dimethyl-2-oxidanylidene-butyl) 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C19H27NO5S MolecularWeight: 381.48638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO5S/c1-19(2,3)17(21)14-25-18(22)15-9-8-10-16(13-15)26(23,24)20-11-6-4-5-7-12-20/h8-10,13H,4-7,11-12,14H2,1-3H3