cyclopropyl-[4-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-4-yl]carbonylpiperazin-1-yl]methanone

Systemtic Name: cyclopropyl-[4-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-4-yl]carbonylpiperazin-1-yl]methanone Openeye Name: cyclopropyl-[4-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carbonyl]piperazin-1-yl]methanone CAS Name: cyclopropyl-[4-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidinyl]-oxomethyl]-1-piperazinyl]methanone IUPAC Name: cyclopropyl-[4-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carbonyl]piperazin-1-yl]methanone Traditional Name: cyclopropyl-[4-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)isonipecotoyl]piperazino]methanone Formula: C23H31N3O6S MolecularWeight: 477.57374

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)N4CCN(CC4)C(=O)C5CC5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)N4CCN(CC4)C(=O)C5CC5)OC1

InChI

InChI=1S/C23H31N3O6S/c27-22(17-2-3-17)24-10-12-25(13-11-24)23(28)18-6-8-26(9-7-18)33(29,30)19-4-5-20-21(16-19)32-15-1-14-31-20/h4-5,16-18H,1-3,6-15H2