2-[1-(4-methylsulfonyl-2-nitro-phenyl)piperidin-4-yl]-1H-benzimidazole

Systemtic Name: 2-[1-(4-methylsulfonyl-2-nitro-phenyl)piperidin-4-yl]-1H-benzimidazole Openeye Name: 2-[1-(4-methylsulfonyl-2-nitro-phenyl)-4-piperidyl]-1H-benzimidazole CAS Name: 2-[1-(4-methylsulfonyl-2-nitrophenyl)-4-piperidinyl]-1H-benzimidazole IUPAC Name: 2-[1-(4-methylsulfonyl-2-nitrophenyl)piperidin-4-yl]-1H-benzimidazole Traditional Name: 2-[1-(4-mesyl-2-nitro-phenyl)-4-piperidyl]-1H-benzimidazole Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O4S/c1-28(26,27)14-6-7-17(18(12-14)23(24)25)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)