N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-4-methoxy-3-nitro-benzamide Formula: C23H21N3O8S MolecularWeight: 499.49314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O8S/c1-32-20-9-3-15(13-19(20)26(28)29)23(27)24-16-4-6-17(7-5-16)25-35(30,31)18-8-10-21-22(14-18)34-12-2-11-33-21/h3-10,13-14,25H,2,11-12H2,1H3,(H,24,27)