methyl 3-[4-(butanoylamino)-2-ethanoyl-phenoxy]sulfonyl-4-methyl-benzoate

Systemtic Name: methyl 3-[4-(butanoylamino)-2-ethanoyl-phenoxy]sulfonyl-4-methyl-benzoate Openeye Name: methyl 3-[2-acetyl-4-(butanoylamino)phenoxy]sulfonyl-4-methyl-benzoate CAS Name: 3-[2-acetyl-4-(1-oxobutylamino)phenoxy]sulfonyl-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[2-acetyl-4-(butanoylamino)phenoxy]sulfonyl-4-methylbenzoate Traditional Name: 3-(2-acetyl-4-butyramido-phenoxy)sulfonyl-4-methyl-benzoic acid methyl ester Formula: C21H23NO7S MolecularWeight: 433.47482

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2)C(=O)OC)C)C(=O)C

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2)C(=O)OC)C)C(=O)C

InChI

InChI=1S/C21H23NO7S/c1-5-6-20(24)22-16-9-10-18(17(12-16)14(3)23)29-30(26,27)19-11-15(21(25)28-4)8-7-13(19)2/h7-12H,5-6H2,1-4H3,(H,22,24)