butyl 4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoylamino]benzoate

Systemtic Name: butyl 4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoylamino]benzoate Openeye Name: butyl 4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoylamino]benzoate CAS Name: 4-[[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoylamino]benzoate Traditional Name: 4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoylamino]benzoic acid butyl ester Formula: C22H25NO7S MolecularWeight: 447.5014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C22H25NO7S/c1-2-3-11-30-22(25)16-4-6-17(7-5-16)23-21(24)10-14-31(26,27)18-8-9-19-20(15-18)29-13-12-28-19/h4-9,15H,2-3,10-14H2,1H3,(H,23,24)