(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanone Traditional Name: (4-besylpiperazino)-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanone Formula: C20H21ClN2O5S MolecularWeight: 436.90914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O5S/c21-17-13-15(14-18-19(17)28-12-4-11-27-18)20(24)22-7-9-23(10-8-22)29(25,26)16-5-2-1-3-6-16/h1-3,5-6,13-14H,4,7-12H2