(5S)-3-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-5-propyl-imidazolidine-2,4-dione

Systemtic Name: (5S)-3-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-5-propyl-imidazolidine-2,4-dione Openeye Name: (5S)-3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-5-propyl-imidazolidine-2,4-dione CAS Name: (5S)-3-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-5-propylimidazolidine-2,4-dione IUPAC Name: (5S)-3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-5-propylimidazolidine-2,4-dione Traditional Name: (5S)-3-[(4-besylpiperazin-1-ium-1-yl)methyl]-5-propyl-hydantoin Formula: C17H25N4O4S+ MolecularWeight: 381.4698

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=O)N(C(=O)N1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC[C@H]1C(=O)N(C(=O)N1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H24N4O4S/c1-2-6-15-16(22)21(17(23)18-15)13-19-9-11-20(12-10-19)26(24,25)14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3,(H,18,23)/p+1/t15-/m0/s1