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

Systemtic Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-(4-ethoxyphenoxy)propan-2-ol Openeye Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-(4-ethoxyphenoxy)propan-2-ol CAS Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-3-(4-ethoxyphenoxy)-2-propanol IUPAC Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-(4-ethoxyphenoxy)propan-2-ol Traditional Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-3-(4-ethoxyphenoxy)propan-2-ol Formula: C24H32N2O7S MolecularWeight: 492.58508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCC(CN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)O

Isomeric SMILES

CCOC1=CC=C(C=C1)OCC(CN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)O

InChI

InChI=1S/C24H32N2O7S/c1-2-30-20-4-6-21(7-5-20)33-18-19(27)17-25-10-12-26(13-11-25)34(28,29)22-8-9-23-24(16-22)32-15-3-14-31-23/h4-9,16,19,27H,2-3,10-15,17-18H2,1H3