(3,3-dimethyl-2-oxidanylidene-butyl) 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C19H26ClNO5S MolecularWeight: 415.93144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26ClNO5S/c1-19(2,3)17(22)13-26-18(23)14-8-9-15(20)16(12-14)27(24,25)21-10-6-4-5-7-11-21/h8-9,12H,4-7,10-11,13H2,1-3H3