butyl 4-[2-(3-phenylpropylsulfonyl)ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(3-phenylpropylsulfonyl)ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(3-phenylpropylsulfonyl)ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]benzoic acid butyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CS(=O)(=O)CCCC2=CC=CC=C2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CS(=O)(=O)CCCC2=CC=CC=C2

InChI

InChI=1S/C22H27NO5S/c1-2-3-15-28-22(25)19-11-13-20(14-12-19)23-21(24)17-29(26,27)16-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-14H,2-3,7,10,15-17H2,1H3,(H,23,24)