1-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-propan-2-yl-imidazolidine-2,4,5-trione

Systemtic Name: 1-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-propan-2-yl-imidazolidine-2,4,5-trione Openeye Name: 1-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-3-isopropyl-imidazolidine-2,4,5-trione CAS Name: 1-[[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione IUPAC Name: 1-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione Traditional Name: 1-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-3-isopropyl-imidazolidine-2,4,5-trione Formula: C18H25N4O5S+ MolecularWeight: 409.4799

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C(=O)N(C1=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)N1C(=O)C(=O)N(C1=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H24N4O5S/c1-14(2)22-17(24)16(23)21(18(22)25)13-19-8-10-20(11-9-19)28(26,27)12-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3/p+1