1-ethyl-2-[(3-nitrophenoxy)methyl]-5-piperidin-1-ylsulfonyl-benzimidazole

Systemtic Name: 1-ethyl-2-[(3-nitrophenoxy)methyl]-5-piperidin-1-ylsulfonyl-benzimidazole Openeye Name: 1-ethyl-2-[(3-nitrophenoxy)methyl]-5-(1-piperidylsulfonyl)benzimidazole CAS Name: 1-ethyl-2-[(3-nitrophenoxy)methyl]-5-(1-piperidinylsulfonyl)benzimidazole IUPAC Name: 1-ethyl-2-[(3-nitrophenoxy)methyl]-5-piperidin-1-ylsulfonylbenzimidazole Traditional Name: 1-ethyl-2-[(3-nitrophenoxy)methyl]-5-piperidinosulfonyl-benzimidazole Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1COC4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1COC4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O5S/c1-2-24-20-10-9-18(31(28,29)23-11-4-3-5-12-23)14-19(20)22-21(24)15-30-17-8-6-7-16(13-17)25(26)27/h6-10,13-14H,2-5,11-12,15H2,1H3