methyl 2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoylamino]phenyl]ethanoate

Systemtic Name: methyl 2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoylamino]phenyl]ethanoate Openeye Name: methyl 2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoylamino]phenyl]acetate CAS Name: 2-[4-[[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-oxopropyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoylamino]phenyl]acetate Traditional Name: 2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoylamino]phenyl]acetic acid methyl ester Formula: C20H21NO7S MolecularWeight: 419.44824

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H21NO7S/c1-26-20(23)12-14-2-4-15(5-3-14)21-19(22)8-11-29(24,25)16-6-7-17-18(13-16)28-10-9-27-17/h2-7,13H,8-12H2,1H3,(H,21,22)