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

Systemtic Name: N-[4-(cyanomethyl)phenyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)butanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)butanamide CAS Name: N-[4-(cyanomethyl)phenyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)butanamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)butanamide Traditional Name: N-[4-(cyanomethyl)phenyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)butyramide Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCCC(=O)NC3=CC=C(C=C3)CC#N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCCC(=O)NC3=CC=C(C=C3)CC#N)OC1

InChI

InChI=1S/C21H23N3O5S/c22-11-10-16-4-6-17(7-5-16)24-21(25)3-1-12-23-30(26,27)18-8-9-19-20(15-18)29-14-2-13-28-19/h4-9,15,23H,1-3,10,12-14H2,(H,24,25)