(5R)-5-ethyl-3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-5-phenyl-imidazolidine-2,4-dione

Systemtic Name: (5R)-5-ethyl-3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-5-phenyl-imidazolidine-2,4-dione Openeye Name: (5R)-5-ethyl-5-phenyl-3-[[4-(p-tolylsulfonyl)-1,4-diazepan-1-ium-1-yl]methyl]imidazolidine-2,4-dione CAS Name: (5R)-5-ethyl-3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-5-phenylimidazolidine-2,4-dione IUPAC Name: (5R)-5-ethyl-3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-5-phenylimidazolidine-2,4-dione Traditional Name: (5R)-5-ethyl-5-phenyl-3-[(4-tosyl-1,4-diazepan-1-ium-1-yl)methyl]hydantoin Formula: C24H31N4O4S+ MolecularWeight: 471.59234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)N(C(=O)N1)C[NH+]2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4

Isomeric SMILES

CC[C@]1(C(=O)N(C(=O)N1)C[NH+]2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C24H30N4O4S/c1-3-24(20-8-5-4-6-9-20)22(29)28(23(30)25-24)18-26-14-7-15-27(17-16-26)33(31,32)21-12-10-19(2)11-13-21/h4-6,8-13H,3,7,14-18H2,1-2H3,(H,25,30)/p+1/t24-/m1/s1