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

Systemtic Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-4-thiophen-2-yl-butanamide Openeye Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-4-(2-thienyl)butanamide CAS Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-4-thiophen-2-ylbutanamide IUPAC Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-4-thiophen-2-ylbutanamide Traditional Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-4-(2-thienyl)butyramide Formula: C23H24N2O5S2 MolecularWeight: 472.57706

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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)CCCC4=CC=CS4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)NC(=O)CCCC4=CC=CS4)OC1

InChI

InChI=1S/C23H24N2O5S2/c26-23(6-1-4-19-5-2-15-31-19)24-17-7-9-18(10-8-17)25-32(27,28)20-11-12-21-22(16-20)30-14-3-13-29-21/h2,5,7-12,15-16,25H,1,3-4,6,13-14H2,(H,24,26)