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

Systemtic Name: methyl 3-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]acetyl]amino]benzoate CAS Name: 3-[[2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]acetyl]amino]benzoate Traditional Name: 3-[[2-[2,3-dihydro-1,4-benzodioxin-6-yl(mesyl)amino]acetyl]amino]benzoic acid methyl ester Formula: C19H20N2O7S MolecularWeight: 420.4363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O7S/c1-26-19(23)13-4-3-5-14(10-13)20-18(22)12-21(29(2,24)25)15-6-7-16-17(11-15)28-9-8-27-16/h3-7,10-11H,8-9,12H2,1-2H3,(H,20,22)