(E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-[4-(2-thienylsulfonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-2-propen-1-one IUPAC Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-[4-(2-thienylsulfonyl)piperazino]prop-2-en-1-one Formula: C20H21ClN2O5S2 MolecularWeight: 468.97414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O5S2/c21-16-13-15(14-17-20(16)28-11-2-10-27-17)4-5-18(24)22-6-8-23(9-7-22)30(25,26)19-3-1-12-29-19/h1,3-5,12-14H,2,6-11H2/b5-4+