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

Systemtic Name: ethyl 3-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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