2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazole

Systemtic Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazole Openeye Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-1-ethyl-5-(1-piperidylsulfonyl)benzimidazole CAS Name: 2-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-1-ethyl-5-(1-piperidinylsulfonyl)benzimidazole IUPAC Name: 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1-ethyl-5-piperidin-1-ylsulfonylbenzimidazole Traditional Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-1-ethyl-5-piperidinosulfonyl-benzimidazole Formula: C20H26N6O4S MolecularWeight: 446.52324

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CN4C(=C(C(=N4)C)[N+](=O)[O-])C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CN4C(=C(C(=N4)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H26N6O4S/c1-4-24-18-9-8-16(31(29,30)23-10-6-5-7-11-23)12-17(18)21-19(24)13-25-15(3)20(26(27)28)14(2)22-25/h8-9,12H,4-7,10-11,13H2,1-3H3