2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-1H-benzimidazole

Systemtic Name: 2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-1H-benzimidazole Openeye Name: 2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-1H-benzimidazole CAS Name: 2-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-1H-benzimidazole IUPAC Name: 2-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-1H-benzimidazole Traditional Name: 2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]-1H-benzimidazole Formula: C18H19N5O4S MolecularWeight: 401.43956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H19N5O4S/c1-13-6-7-14(23(24)25)12-17(13)28(26,27)22-10-8-21(9-11-22)18-19-15-4-2-3-5-16(15)20-18/h2-7,12H,8-11H2,1H3,(H,19,20)