(4-oxidanylidene-4-phenyl-butyl) 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (4-oxidanylidene-4-phenyl-butyl) 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (4-oxo-4-phenyl-butyl) 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid (4-oxo-4-phenylbutyl) ester IUPAC Name: (4-oxo-4-phenylbutyl) 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid (4-keto-4-phenyl-butyl) ester Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCCCC(=O)C2=CC=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCCCC(=O)C2=CC=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H25NO6S/c1-17-9-10-19(16-21(17)30(26,27)23-11-14-28-15-12-23)22(25)29-13-5-8-20(24)18-6-3-2-4-7-18/h2-4,6-7,9-10,16H,5,8,11-15H2,1H3