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

Systemtic Name: (cyclohexylideneamino) 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoate Openeye Name: (cyclohexylideneamino) 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoate CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoic acid (cyclohexylideneamino) ester IUPAC Name: (cyclohexylideneamino) 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoate Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoic acid (cyclohexylideneamino) ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NOC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4)CC1

Isomeric SMILES

C1CCC(=NOC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4)CC1

InChI

InChI=1S/C22H24N2O6S/c25-22(30-23-17-5-2-1-3-6-17)16-7-9-18(10-8-16)24-31(26,27)19-11-12-20-21(15-19)29-14-4-13-28-20/h7-12,15,24H,1-6,13-14H2