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

Systemtic Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-naphthalen-1-yloxy-propan-2-ol Openeye Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-(1-naphthyloxy)propan-2-ol CAS Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-3-(1-naphthalenyloxy)-2-propanol IUPAC Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol Traditional Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-3-(1-naphthoxy)propan-2-ol Formula: C26H30N2O6S MolecularWeight: 498.5912

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CC(COC4=CC=CC5=CC=CC=C54)O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CC(COC4=CC=CC5=CC=CC=C54)O)OC1

InChI

InChI=1S/C26H30N2O6S/c29-21(19-34-24-8-3-6-20-5-1-2-7-23(20)24)18-27-11-13-28(14-12-27)35(30,31)22-9-10-25-26(17-22)33-16-4-15-32-25/h1-3,5-10,17,21,29H,4,11-16,18-19H2