N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-4-oxidanylidene-4-thiophen-2-yl-butanamide

Systemtic Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-4-oxidanylidene-4-thiophen-2-yl-butanamide Openeye Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-4-oxo-4-(2-thienyl)butanamide CAS Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide IUPAC Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide Traditional Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-4-keto-4-(2-thienyl)butyramide Formula: C23H22N2O6S2 MolecularWeight: 486.56058

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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)CCC(=O)C4=CC=CS4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)NC(=O)CCC(=O)C4=CC=CS4)OC1

InChI

InChI=1S/C23H22N2O6S2/c26-19(22-3-1-14-32-22)9-11-23(27)24-16-4-6-17(7-5-16)25-33(28,29)18-8-10-20-21(15-18)31-13-2-12-30-20/h1,3-8,10,14-15,25H,2,9,11-13H2,(H,24,27)