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

Systemtic Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone Traditional Name: (4-besylpiperazino)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S/c23-20(16-7-8-18-19(15-16)27-14-4-13-26-18)21-9-11-22(12-10-21)28(24,25)17-5-2-1-3-6-17/h1-3,5-8,15H,4,9-14H2