1-[[2-[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]imidazol-1-yl]methyl]benzotriazole

Systemtic Name: 1-[[2-[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]imidazol-1-yl]methyl]benzotriazole Openeye Name: 1-[[2-[1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]imidazol-1-yl]methyl]benzotriazole CAS Name: 1-[[2-[1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinyl]-1-imidazolyl]methyl]benzotriazole IUPAC Name: 1-[[2-[1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-4-yl]imidazol-1-yl]methyl]benzotriazole Traditional Name: 1-[[2-[1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]imidazol-1-yl]methyl]benzotriazole Formula: C22H23N7O4S MolecularWeight: 481.52752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5N=N4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H23N7O4S/c1-16-6-7-18(29(30)31)14-21(16)34(32,33)27-11-8-17(9-12-27)22-23-10-13-26(22)15-28-20-5-3-2-4-19(20)24-25-28/h2-7,10,13-14,17H,8-9,11-12,15H2,1H3