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

Systemtic Name: 1-cyclopentyl-3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione Openeye Name: 1-cyclopentyl-3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione CAS Name: 1-cyclopentyl-3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazin-1-iumyl]methyl]imidazolidine-2,4,5-trione IUPAC Name: 1-cyclopentyl-3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione Traditional Name: 1-cyclopentyl-3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione Formula: C22H29N4O7S+ MolecularWeight: 493.55326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C(=O)N(C2=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1CCC(C1)N2C(=O)C(=O)N(C2=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C22H28N4O7S/c27-20-21(28)26(16-4-1-2-5-16)22(29)25(20)15-23-8-10-24(11-9-23)34(30,31)17-6-7-18-19(14-17)33-13-3-12-32-18/h6-7,14,16H,1-5,8-13,15H2/p+1