2-[1-(4-methoxy-3-nitro-phenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole

Systemtic Name: 2-[1-(4-methoxy-3-nitro-phenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole Openeye Name: 2-[1-(4-methoxy-3-nitro-phenyl)sulfonyl-4-piperidyl]-1H-benzimidazole CAS Name: 2-[1-(4-methoxy-3-nitrophenyl)sulfonyl-4-piperidinyl]-1H-benzimidazole IUPAC Name: 2-[1-(4-methoxy-3-nitrophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole Traditional Name: 2-[1-(4-methoxy-3-nitro-phenyl)sulfonyl-4-piperidyl]-1H-benzimidazole Formula: C19H20N4O5S MolecularWeight: 416.4509

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O5S/c1-28-18-7-6-14(12-17(18)23(24)25)29(26,27)22-10-8-13(9-11-22)19-20-15-4-2-3-5-16(15)21-19/h2-7,12-13H,8-11H2,1H3,(H,20,21)