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

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)butanamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)butanamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)butanamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)butanamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)butyramide Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)CCCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)CCCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H30N2O5S/c24-21(22-13-11-17-6-2-1-3-7-17)8-4-12-23-29(25,26)18-9-10-19-20(16-18)28-15-5-14-27-19/h6,9-10,16,23H,1-5,7-8,11-15H2,(H,22,24)