(3,3-dimethyl-2-oxidanylidene-butyl) 2-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(3-morpholinosulfonylphenyl)methylsulfanyl]benzoate CAS Name: 2-[[3-(4-morpholinylsulfonyl)phenyl]methylthio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]benzoate Traditional Name: 2-[(3-morpholinosulfonylbenzyl)thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C24H29NO6S2 MolecularWeight: 491.62016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C24H29NO6S2/c1-24(2,3)22(26)16-31-23(27)20-9-4-5-10-21(20)32-17-18-7-6-8-19(15-18)33(28,29)25-11-13-30-14-12-25/h4-10,15H,11-14,16-17H2,1-3H3