(E)-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-phenyl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-phenyl-prop-2-en-1-one Openeye Name: (E)-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-phenyl-prop-2-en-1-one CAS Name: (E)-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-3-phenyl-2-propen-1-one IUPAC Name: (E)-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-phenylprop-2-en-1-one Traditional Name: (E)-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-3-phenyl-prop-2-en-1-one Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C=CC4=CC=CC=C4)OC1

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5S/c25-22(10-7-18-5-2-1-3-6-18)23-11-13-24(14-12-23)30(26,27)19-8-9-20-21(17-19)29-16-4-15-28-20/h1-3,5-10,17H,4,11-16H2/b10-7+