N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]quinoline-2-carboxamide

Systemtic Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]quinoline-2-carboxamide Openeye Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]quinoline-2-carboxamide CAS Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-2-quinolinecarboxamide IUPAC Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]quinoline-2-carboxamide Traditional Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]quinaldamide Formula: C25H21N3O5S MolecularWeight: 475.51634

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)NC(=O)C4=NC5=CC=CC=C5C=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)NC(=O)C4=NC5=CC=CC=C5C=C4)OC1

InChI

InChI=1S/C25H21N3O5S/c29-25(22-12-6-17-4-1-2-5-21(17)27-22)26-18-7-9-19(10-8-18)28-34(30,31)20-11-13-23-24(16-20)33-15-3-14-32-23/h1-2,4-13,16,28H,3,14-15H2,(H,26,29)