3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-5,5-diethyl-imidazolidine-2,4-dione

Systemtic Name: 3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-5,5-diethyl-imidazolidine-2,4-dione Openeye Name: 3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-5,5-diethyl-imidazolidine-2,4-dione CAS Name: 3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazin-1-iumyl]methyl]-5,5-diethylimidazolidine-2,4-dione IUPAC Name: 3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-5,5-diethylimidazolidine-2,4-dione Traditional Name: 3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-5,5-diethyl-hydantoin Formula: C21H31N4O6S+ MolecularWeight: 467.55904

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)N(C(=O)N1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)CC

Isomeric SMILES

CCC1(C(=O)N(C(=O)N1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)CC

InChI

InChI=1S/C21H30N4O6S/c1-3-21(4-2)19(26)25(20(27)22-21)15-23-8-10-24(11-9-23)32(28,29)16-6-7-17-18(14-16)31-13-5-12-30-17/h6-7,14H,3-5,8-13,15H2,1-2H3,(H,22,27)/p+1