(5R)-3-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-propyl-imidazolidine-2,4-dione

Systemtic Name: (5R)-3-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-propyl-imidazolidine-2,4-dione Openeye Name: (5R)-3-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-5-propyl-imidazolidine-2,4-dione CAS Name: (5R)-3-[[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-propylimidazolidine-2,4-dione IUPAC Name: (5R)-3-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-5-propylimidazolidine-2,4-dione Traditional Name: (5R)-3-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-5-propyl-hydantoin Formula: C18H27N4O4S+ MolecularWeight: 395.49638

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=O)N(C(=O)N1)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCC[C@@H]1C(=O)N(C(=O)N1)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H26N4O4S/c1-2-6-16-17(23)22(18(24)19-16)14-20-9-11-21(12-10-20)27(25,26)13-15-7-4-3-5-8-15/h3-5,7-8,16H,2,6,9-14H2,1H3,(H,19,24)/p+1/t16-/m1/s1