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

Systemtic Name: (4-cyanophenyl) 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]ethanoate Openeye Name: (4-cyanophenyl) 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 (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 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 (4-cyanophenyl) ester Formula: C19H18N2O6S MolecularWeight: 402.42102

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OC1=CC=C(C=C1)C#N)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CN(CC(=O)OC1=CC=C(C=C1)C#N)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H18N2O6S/c1-21(13-19(22)27-15-5-3-14(12-20)4-6-15)28(23,24)16-7-8-17-18(11-16)26-10-2-9-25-17/h3-8,11H,2,9-10,13H2,1H3