(3,3-dimethyl-2-oxidanylidene-butyl) 5-morpholin-4-ylsulfonyl-2-piperidin-1-yl-benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 5-morpholin-4-ylsulfonyl-2-piperidin-1-yl-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 5-morpholinosulfonyl-2-(1-piperidyl)benzoate CAS Name: 5-(4-morpholinylsulfonyl)-2-(1-piperidinyl)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate Traditional Name: 5-morpholinosulfonyl-2-piperidino-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H32N2O6S MolecularWeight: 452.56428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCCCC3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCCCC3

InChI

InChI=1S/C22H32N2O6S/c1-22(2,3)20(25)16-30-21(26)18-15-17(31(27,28)24-11-13-29-14-12-24)7-8-19(18)23-9-5-4-6-10-23/h7-8,15H,4-6,9-14,16H2,1-3H3