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

Systemtic Name: 2-[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole Openeye Name: 2-[1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]-1H-benzimidazole CAS Name: 2-[1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinyl]-1H-benzimidazole IUPAC Name: 2-[1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole Traditional Name: 2-[1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]-1H-benzimidazole Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C19H20N4O4S/c1-13-6-7-15(23(24)25)12-18(13)28(26,27)22-10-8-14(9-11-22)19-20-16-4-2-3-5-17(16)21-19/h2-7,12,14H,8-11H2,1H3,(H,20,21)