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

Systemtic Name: [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone Openeye Name: [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone CAS Name: [4-(4-bromophenyl)sulfonyl-1-piperazinyl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone IUPAC Name: [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone Traditional Name: (4-brosylpiperazino)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone Formula: C20H21BrN2O5S MolecularWeight: 481.36014

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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=C(C=C4)Br)OC1

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O5S/c21-16-3-5-17(6-4-16)29(25,26)23-10-8-22(9-11-23)20(24)15-2-7-18-19(14-15)28-13-1-12-27-18/h2-7,14H,1,8-13H2