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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClNO6S/c1-23-17(20)11-3-5-13(18)14(9-11)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