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

Systemtic Name: [4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone Openeye Name: [4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone CAS Name: [4-(3-bromophenyl)sulfonyl-1-piperazinyl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone IUPAC Name: [4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone Traditional Name: [4-(3-bromophenyl)sulfonylpiperazino]-(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(=CC=C4)Br)OC1

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O5S/c21-16-3-1-4-17(14-16)29(25,26)23-9-7-22(8-10-23)20(24)15-5-6-18-19(13-15)28-12-2-11-27-18/h1,3-6,13-14H,2,7-12H2