methyl 4-methylsulfonylbutanoate; 2-phenyl-4-phenylmethoxy-benzamide

Systemtic Name: methyl 4-methylsulfonylbutanoate; 2-phenyl-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-2-phenyl-benzamide; methyl 4-methylsulfonylbutanoate CAS Name: 4-methylsulfonylbutanoic acid methyl ester; 2-phenyl-4-phenylmethoxybenzamide IUPAC Name: methyl 4-methylsulfonylbutanoate; 2-phenyl-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-2-phenyl-benzamide; 4-mesylbutyric acid methyl ester Formula: C26H29NO6S MolecularWeight: 483.57656

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCS(=O)(=O)C.C1=CC=C(C=C1)COC2=CC(=C(C=C2)C(=O)N)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCS(=O)(=O)C.C1=CC=C(C=C1)COC2=CC(=C(C=C2)C(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C20H17NO2.C6H12O4S/c21-20(22)18-12-11-17(23-14-15-7-3-1-4-8-15)13-19(18)16-9-5-2-6-10-16;1-10-6(7)4-3-5-11(2,8)9/h1-13H,14H2,(H2,21,22);3-5H2,1-2H3