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

Systemtic Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-N-methyl-N-(2-thienylmethyl)acetamide CAS Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazin-1-iumyl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-N-methyl-N-(2-thenyl)acetamide Formula: C21H28N3O5S2+ MolecularWeight: 466.59412

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CS1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN(CC1=CC=CS1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H27N3O5S2/c1-22(15-17-4-2-13-30-17)21(25)16-23-7-9-24(10-8-23)31(26,27)18-5-6-19-20(14-18)29-12-3-11-28-19/h2,4-6,13-14H,3,7-12,15-16H2,1H3/p+1