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

Systemtic Name: methyl 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)methyl]benzoate Openeye Name: methyl 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)methyl]benzoate CAS Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)methyl]benzoate Traditional Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)methyl]benzoic acid methyl ester Formula: C18H19NO6S MolecularWeight: 377.41156

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H19NO6S/c1-23-18(20)14-5-3-13(4-6-14)12-19-26(21,22)15-7-8-16-17(11-15)25-10-2-9-24-16/h3-8,11,19H,2,9-10,12H2,1H3