methyl 2-[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetyl]amino]benzoate CAS Name: 2-[[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetyl]amino]benzoate Traditional Name: 2-[[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetyl]amino]benzoic acid methyl ester Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1C(=O)OC)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1C(=O)OC)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H22N2O7S/c1-22(13-19(23)21-16-7-4-3-6-15(16)20(24)27-2)30(25,26)14-8-9-17-18(12-14)29-11-5-10-28-17/h3-4,6-9,12H,5,10-11,13H2,1-2H3,(H,21,23)