N-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]benzenesulfonamide

Systemtic Name: N-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]benzenesulfonamide Openeye Name: N-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]benzenesulfonamide CAS Name: N-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-2-oxoethyl]benzenesulfonamide IUPAC Name: N-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide Traditional Name: N-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-2-keto-ethyl]benzenesulfonamide Formula: C21H25N3O7S2 MolecularWeight: 495.5691

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CNS(=O)(=O)C4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CNS(=O)(=O)C4=CC=CC=C4)OC1

InChI

InChI=1S/C21H25N3O7S2/c25-21(16-22-32(26,27)17-5-2-1-3-6-17)23-9-11-24(12-10-23)33(28,29)18-7-8-19-20(15-18)31-14-4-13-30-19/h1-3,5-8,15,22H,4,9-14,16H2