1-ethyl-2-[(4-nitrophenyl)sulfanylmethyl]-5-piperidin-1-ylsulfonyl-benzimidazole

Systemtic Name: 1-ethyl-2-[(4-nitrophenyl)sulfanylmethyl]-5-piperidin-1-ylsulfonyl-benzimidazole Openeye Name: 1-ethyl-2-[(4-nitrophenyl)sulfanylmethyl]-5-(1-piperidylsulfonyl)benzimidazole CAS Name: 1-ethyl-2-[[(4-nitrophenyl)thio]methyl]-5-(1-piperidinylsulfonyl)benzimidazole IUPAC Name: 1-ethyl-2-[(4-nitrophenyl)sulfanylmethyl]-5-piperidin-1-ylsulfonylbenzimidazole Traditional Name: 1-ethyl-2-[[(4-nitrophenyl)thio]methyl]-5-piperidinosulfonyl-benzimidazole Formula: C21H24N4O4S2 MolecularWeight: 460.56966

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4S2/c1-2-24-20-11-10-18(31(28,29)23-12-4-3-5-13-23)14-19(20)22-21(24)15-30-17-8-6-16(7-9-17)25(26)27/h6-11,14H,2-5,12-13,15H2,1H3