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

Systemtic Name: propyl 4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoylamino]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C21H23NO7S MolecularWeight: 433.47482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO7S/c1-2-10-29-21(24)15-3-5-16(6-4-15)22-20(23)9-13-30(25,26)17-7-8-18-19(14-17)28-12-11-27-18/h3-8,14H,2,9-13H2,1H3,(H,22,23)