ethyl 4-[4-(phenylmethyl)sulfonylbutanoylamino]benzoate

Systemtic Name: ethyl 4-[4-(phenylmethyl)sulfonylbutanoylamino]benzoate Openeye Name: ethyl 4-(4-benzylsulfonylbutanoylamino)benzoate CAS Name: 4-[[1-oxo-4-(phenylmethyl)sulfonylbutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylsulfonylbutanoylamino)benzoate Traditional Name: 4-(4-benzylsulfonylbutanoylamino)benzoic acid ethyl ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCCS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCCS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C20H23NO5S/c1-2-26-20(23)17-10-12-18(13-11-17)21-19(22)9-6-14-27(24,25)15-16-7-4-3-5-8-16/h3-5,7-8,10-13H,2,6,9,14-15H2,1H3,(H,21,22)