ethyl 4-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]acetyl]amino]benzoate CAS Name: 4-[[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]acetyl]amino]benzoate Traditional Name: 4-[[2-[1,3-benzodioxol-5-yl(mesyl)amino]acetyl]amino]benzoic acid ethyl ester Formula: C19H20N2O7S MolecularWeight: 420.4363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O7S/c1-3-26-19(23)13-4-6-14(7-5-13)20-18(22)11-21(29(2,24)25)15-8-9-16-17(10-15)28-12-27-16/h4-10H,3,11-12H2,1-2H3,(H,20,22)