5,6-dimethyl-1-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)benzimidazole

Systemtic Name: 5,6-dimethyl-1-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)benzimidazole Openeye Name: 5,6-dimethyl-1-[2-nitro-4-(1-piperidylsulfonyl)phenyl]benzimidazole CAS Name: 5,6-dimethyl-1-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]benzimidazole IUPAC Name: 5,6-dimethyl-1-(2-nitro-4-piperidin-1-ylsulfonylphenyl)benzimidazole Traditional Name: 5,6-dimethyl-1-(2-nitro-4-piperidinosulfonyl-phenyl)benzimidazole Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C=N2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C=N2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4S/c1-14-10-17-19(11-15(14)2)23(13-21-17)18-7-6-16(12-20(18)24(25)26)29(27,28)22-8-4-3-5-9-22/h6-7,10-13H,3-5,8-9H2,1-2H3