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

Systemtic Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(3-phenylthiophen-2-yl)methanone Openeye Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(3-phenyl-2-thienyl)methanone CAS Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-(3-phenyl-2-thiophenyl)methanone IUPAC Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(3-phenylthiophen-2-yl)methanone Traditional Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-(3-phenyl-2-thienyl)methanone Formula: C24H24N2O5S2 MolecularWeight: 484.58776

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=C(C=CS4)C5=CC=CC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=C(C=CS4)C5=CC=CC=C5)OC1

InChI

InChI=1S/C24H24N2O5S2/c27-24(23-20(9-16-32-23)18-5-2-1-3-6-18)25-10-12-26(13-11-25)33(28,29)19-7-8-21-22(17-19)31-15-4-14-30-21/h1-3,5-9,16-17H,4,10-15H2