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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-[(4-ethoxyphenyl)methyl]piperazine Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-[(4-ethoxyphenyl)methyl]piperazine CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-[(4-ethoxyphenyl)methyl]piperazine IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-[(4-ethoxyphenyl)methyl]piperazine Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(4-ethoxybenzyl)piperazine Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5S/c1-2-27-19-6-4-18(5-7-19)17-23-10-12-24(13-11-23)30(25,26)20-8-9-21-22(16-20)29-15-3-14-28-21/h4-9,16H,2-3,10-15,17H2,1H3