4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-quinolin-3-yl-benzamide

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-quinolin-3-yl-benzamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(3-quinolyl)benzamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(3-quinolinyl)benzamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-quinolin-3-ylbenzamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(3-quinolyl)benzamide 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)C(=O)NC4=CC5=CC=CC=C5N=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)NC4=CC5=CC=CC=C5N=C4)OC1

InChI

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