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

Systemtic Name: (2S)-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-phenoxy-propan-1-one Openeye Name: (2S)-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-phenoxy-propan-1-one CAS Name: (2S)-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-2-phenoxy-1-propanone IUPAC Name: (2S)-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-phenoxypropan-1-one Traditional Name: (2S)-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-2-phenoxy-propan-1-one Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)OC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)OC4=CC=CC=C4

InChI

InChI=1S/C22H26N2O6S/c1-17(30-18-6-3-2-4-7-18)22(25)23-10-12-24(13-11-23)31(26,27)19-8-9-20-21(16-19)29-15-5-14-28-20/h2-4,6-9,16-17H,5,10-15H2,1H3/t17-/m0/s1