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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C19H27NO5S MolecularWeight: 381.48638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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