ethyl 3-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]acetyl]amino]benzoate CAS Name: 3-[[2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]acetyl]amino]benzoate Traditional Name: 3-[[2-[2,3-dihydro-1,4-benzodioxin-6-yl(esyl)amino]acetyl]amino]benzoic acid ethyl ester Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN(C2=CC3=C(C=C2)OCCO3)S(=O)(=O)CC

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN(C2=CC3=C(C=C2)OCCO3)S(=O)(=O)CC

InChI

InChI=1S/C21H24N2O7S/c1-3-28-21(25)15-6-5-7-16(12-15)22-20(24)14-23(31(26,27)4-2)17-8-9-18-19(13-17)30-11-10-29-18/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,22,24)