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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=C(C=C1)C(=O)OC)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CN(CC(=O)NC1=CC=C(C=C1)C(=O)OC)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

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