5-[[3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-yl-2,4-bis(oxidanylidene)imidazolidin-1-yl]methyl]-2-methylsulfonyl-benzenecarbonitrile

Systemtic Name: 5-[[3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-yl-2,4-bis(oxidanylidene)imidazolidin-1-yl]methyl]-2-methylsulfonyl-benzenecarbonitrile Openeye Name: 5-[[3-(3-imidazol-1-ylpropyl)-5-methyl-5-(1-naphthyl)-2,4-dioxo-imidazolidin-1-yl]methyl]-2-methylsulfonyl-benzonitrile CAS Name: 5-[[3-[3-(1-imidazolyl)propyl]-5-methyl-5-(1-naphthalenyl)-2,4-dioxo-1-imidazolidinyl]methyl]-2-methylsulfonylbenzonitrile IUPAC Name: 5-[[3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-yl-2,4-dioxoimidazolidin-1-yl]methyl]-2-methylsulfonylbenzonitrile Traditional Name: 5-[[3-(3-imidazol-1-ylpropyl)-2,4-diketo-5-methyl-5-(1-naphthyl)imidazolidin-1-yl]methyl]-2-mesyl-benzonitrile Formula: C29H27N5O4S MolecularWeight: 541.62078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=O)N1CC2=CC(=C(C=C2)S(=O)(=O)C)C#N)CCCN3C=CN=C3)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1(C(=O)N(C(=O)N1CC2=CC(=C(C=C2)S(=O)(=O)C)C#N)CCCN3C=CN=C3)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C29H27N5O4S/c1-29(25-10-5-8-22-7-3-4-9-24(22)25)27(35)33(15-6-14-32-16-13-31-20-32)28(36)34(29)19-21-11-12-26(39(2,37)38)23(17-21)18-30/h3-5,7-13,16-17,20H,6,14-15,19H2,1-2H3