5-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-1,3-dimethyl-6-nitro-benzimidazol-2-one

Systemtic Name: 5-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-1,3-dimethyl-6-nitro-benzimidazol-2-one Openeye Name: 5-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-1,3-dimethyl-6-nitro-benzimidazol-2-one CAS Name: 5-[4-(4-cyclohexylphenyl)sulfonyl-1-piperazinyl]-1,3-dimethyl-6-nitro-2-benzimidazolone IUPAC Name: 5-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-1,3-dimethyl-6-nitrobenzimidazol-2-one Traditional Name: 5-[4-(4-cyclohexylphenyl)sulfonylpiperazino]-1,3-dimethyl-6-nitro-benzimidazol-2-one Formula: C25H31N5O5S MolecularWeight: 513.60914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=C(C=C2N(C1=O)C)[N+](=O)[O-])N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C5CCCCC5

Isomeric SMILES

CN1C2=CC(=C(C=C2N(C1=O)C)[N+](=O)[O-])N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C5CCCCC5

InChI

InChI=1S/C25H31N5O5S/c1-26-21-16-23(24(30(32)33)17-22(21)27(2)25(26)31)28-12-14-29(15-13-28)36(34,35)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h8-11,16-18H,3-7,12-15H2,1-2H3