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

Systemtic Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-N-ethyl-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-N-ethyl-N-(2-thienylmethyl)acetamide CAS Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazin-1-iumyl]-N-ethyl-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-N-ethyl-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-N-ethyl-N-(2-thenyl)acetamide Formula: C22H30N3O5S2+ MolecularWeight: 480.6207

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O5S2/c1-2-24(16-18-5-3-14-31-18)22(26)17-23-8-10-25(11-9-23)32(27,28)19-6-7-20-21(15-19)30-13-4-12-29-20/h3,5-7,14-15H,2,4,8-13,16-17H2,1H3/p+1