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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C18H24ClNO5S MolecularWeight: 401.90486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C18H24ClNO5S/c1-18(2,3)16(21)12-25-17(22)13-7-8-14(19)15(11-13)26(23,24)20-9-5-4-6-10-20/h7-8,11H,4-6,9-10,12H2,1-3H3