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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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