1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

COC1=CC=C(C=C1)OCCN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H28N2O6S/c1-27-18-3-5-19(6-4-18)28-16-13-23-9-11-24(12-10-23)31(25,26)20-7-8-21-22(17-20)30-15-2-14-29-21/h3-8,17H,2,9-16H2,1H3