1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-(phenylsulfonyl)propan-1-one

Systemtic Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-(phenylsulfonyl)propan-1-one Openeye Name: 3-(benzenesulfonyl)-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 3-(benzenesulfonyl)-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(benzenesulfonyl)-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]propan-1-one Traditional Name: 3-besyl-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]propan-1-one Formula: C22H26N2O7S2 MolecularWeight: 494.58104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O7S2/c25-22(9-16-32(26,27)18-5-2-1-3-6-18)23-10-12-24(13-11-23)33(28,29)19-7-8-20-21(17-19)31-15-4-14-30-20/h1-3,5-8,17H,4,9-16H2