ethyl 3-[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]acetyl]amino]benzoate CAS Name: 3-[[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]acetyl]amino]benzoate Traditional Name: 3-[[2-[1,3-benzodioxol-5-yl(esyl)amino]acetyl]amino]benzoic acid ethyl ester Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)CC

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)CC

InChI

InChI=1S/C20H22N2O7S/c1-3-27-20(24)14-6-5-7-15(10-14)21-19(23)12-22(30(25,26)4-2)16-8-9-17-18(11-16)29-13-28-17/h5-11H,3-4,12-13H2,1-2H3,(H,21,23)