N-(3-bromophenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)butanamide

Systemtic Name: N-(3-bromophenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)butanamide Openeye Name: N-(3-bromophenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)butanamide CAS Name: N-(3-bromophenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)butanamide IUPAC Name: N-(3-bromophenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)butanamide Traditional Name: N-(3-bromophenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)butyramide Formula: C19H21BrN2O5S MolecularWeight: 469.34944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2O5S/c20-14-4-1-5-15(12-14)22-19(23)6-2-9-21-28(24,25)16-7-8-17-18(13-16)27-11-3-10-26-17/h1,4-5,7-8,12-13,21H,2-3,6,9-11H2,(H,22,23)