(2S)-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-morpholin-4-yl-propan-2-ol

Systemtic Name: (2S)-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-morpholin-4-yl-propan-2-ol Openeye Name: (2S)-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-morpholino-propan-2-ol CAS Name: (2S)-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-3-(4-morpholinyl)-2-propanol IUPAC Name: (2S)-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol Traditional Name: (2S)-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-3-morpholino-propan-2-ol Formula: C20H31N3O6S MolecularWeight: 441.54164

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CC(CN4CCOCC4)O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C[C@@H](CN4CCOCC4)O)OC1

InChI

InChI=1S/C20H31N3O6S/c24-17(16-22-8-12-27-13-9-22)15-21-4-6-23(7-5-21)30(25,26)18-2-3-19-20(14-18)29-11-1-10-28-19/h2-3,14,17,24H,1,4-13,15-16H2/t17-/m0/s1