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

Systemtic Name: methyl 2-chloranyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoate Openeye Name: methyl 2-chloro-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoate CAS Name: 2-chloro-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoate Traditional Name: 2-chloro-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoic acid methyl ester Formula: C17H16ClNO6S MolecularWeight: 397.83004

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)Cl

InChI

InChI=1S/C17H16ClNO6S/c1-23-17(20)13-9-11(3-5-14(13)18)19-26(21,22)12-4-6-15-16(10-12)25-8-2-7-24-15/h3-6,9-10,19H,2,7-8H2,1H3