butyl 4-[3-(4-methylphenyl)sulfonylpropanoylamino]benzoate

Systemtic Name: butyl 4-[3-(4-methylphenyl)sulfonylpropanoylamino]benzoate Openeye Name: butyl 4-[3-(p-tolylsulfonyl)propanoylamino]benzoate CAS Name: 4-[[3-(4-methylphenyl)sulfonyl-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[3-(4-methylphenyl)sulfonylpropanoylamino]benzoate Traditional Name: 4-(3-tosylpropanoylamino)benzoic acid butyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H25NO5S/c1-3-4-14-27-21(24)17-7-9-18(10-8-17)22-20(23)13-15-28(25,26)19-11-5-16(2)6-12-19/h5-12H,3-4,13-15H2,1-2H3,(H,22,23)