2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)ethanamide

Systemtic Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)ethanamide Openeye Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-N-methyl-N-(3-thienylmethyl)acetamide CAS Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-N-methyl-N-(3-thiophenylmethyl)acetamide IUPAC Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide Traditional Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-N-methyl-N-(3-thenyl)acetamide Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CSC=C1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN(CC1=CSC=C1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H27N3O5S2/c1-22(14-17-5-12-30-16-17)21(25)15-23-6-8-24(9-7-23)31(26,27)18-3-4-19-20(13-18)29-11-2-10-28-19/h3-5,12-13,16H,2,6-11,14-15H2,1H3