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

Systemtic Name: 1-methyl-3-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]imidazolidine-2,4-dione Openeye Name: 3-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-1-methyl-imidazolidine-2,4-dione CAS Name: 1-methyl-3-[[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]methyl]imidazolidine-2,4-dione IUPAC Name: 3-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-1-methylimidazolidine-2,4-dione Traditional Name: 3-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-1-methyl-hydantoin Formula: C16H23N4O4S+ MolecularWeight: 367.44322

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(=O)N(C1=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CN1CC(=O)N(C1=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C16H22N4O4S/c1-17-11-15(21)20(16(17)22)13-18-7-9-19(10-8-18)25(23,24)12-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3/p+1