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

Systemtic Name: methyl 3-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]acetyl]amino]benzoate CAS Name: 3-[[2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]acetyl]amino]benzoate Traditional Name: 3-[[2-[2,3-dihydro-1,4-benzodioxin-6-yl(esyl)amino]acetyl]amino]benzoic acid methyl ester Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N(CC(=O)NC1=CC=CC(=C1)C(=O)OC)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCS(=O)(=O)N(CC(=O)NC1=CC=CC(=C1)C(=O)OC)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H22N2O7S/c1-3-30(25,26)22(16-7-8-17-18(12-16)29-10-9-28-17)13-19(23)21-15-6-4-5-14(11-15)20(24)27-2/h4-8,11-12H,3,9-10,13H2,1-2H3,(H,21,23)