5,5-diethyl-3-[[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]imidazolidine-2,4-dione

Systemtic Name: 5,5-diethyl-3-[[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]imidazolidine-2,4-dione Openeye Name: 5,5-diethyl-3-[[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]imidazolidine-2,4-dione CAS Name: 5,5-diethyl-3-[[4-(3-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]imidazolidine-2,4-dione IUPAC Name: 5,5-diethyl-3-[[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]imidazolidine-2,4-dione Traditional Name: 5,5-diethyl-3-[[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]hydantoin Formula: C18H26N5O6S+ MolecularWeight: 440.49394

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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=CC=CC(=C3)[N+](=O)[O-])CC

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O6S/c1-3-18(4-2)16(24)22(17(25)19-18)13-20-8-10-21(11-9-20)30(28,29)15-7-5-6-14(12-15)23(26)27/h5-7,12H,3-4,8-11,13H2,1-2H3,(H,19,25)/p+1