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

Systemtic Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one Openeye Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one CAS Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-3-(3-nitrophenyl)-2-propen-1-one IUPAC Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one Traditional Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-3-(3-nitrophenyl)prop-2-en-1-one Formula: C22H23N3O7S MolecularWeight: 473.49892

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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)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-])OC1

InChI

InChI=1S/C22H23N3O7S/c26-22(8-5-17-3-1-4-18(15-17)25(27)28)23-9-11-24(12-10-23)33(29,30)19-6-7-20-21(16-19)32-14-2-13-31-20/h1,3-8,15-16H,2,9-14H2