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

Systemtic Name: methyl 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]ethanoate Openeye Name: methyl 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetate CAS Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetic acid methyl ester IUPAC Name: methyl 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetate Traditional Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetic acid methyl ester Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OC)S(=O)(=O)C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CN(CC(=O)OC)S(=O)(=O)C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C13H17NO6S/c1-14(9-13(15)18-2)21(16,17)10-4-5-11-12(8-10)20-7-3-6-19-11/h4-5,8H,3,6-7,9H2,1-2H3