1-ethyl-2-(5-nitropyridin-2-yl)sulfanyl-5-piperidin-1-ylsulfonyl-benzimidazole

Systemtic Name: 1-ethyl-2-(5-nitropyridin-2-yl)sulfanyl-5-piperidin-1-ylsulfonyl-benzimidazole Openeye Name: 1-ethyl-2-[(5-nitro-2-pyridyl)sulfanyl]-5-(1-piperidylsulfonyl)benzimidazole CAS Name: 1-ethyl-2-[(5-nitro-2-pyridinyl)thio]-5-(1-piperidinylsulfonyl)benzimidazole IUPAC Name: 1-ethyl-2-(5-nitropyridin-2-yl)sulfanyl-5-piperidin-1-ylsulfonylbenzimidazole Traditional Name: 1-ethyl-2-[(5-nitro-2-pyridyl)thio]-5-piperidinosulfonyl-benzimidazole Formula: C19H21N5O4S2 MolecularWeight: 447.53114

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SC4=NC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SC4=NC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O4S2/c1-2-23-17-8-7-15(30(27,28)22-10-4-3-5-11-22)12-16(17)21-19(23)29-18-9-6-14(13-20-18)24(25)26/h6-9,12-13H,2-5,10-11H2,1H3