1-ethyl-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-5-piperidin-1-ylsulfonyl-benzimidazole

Systemtic Name: 1-ethyl-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-5-piperidin-1-ylsulfonyl-benzimidazole Openeye Name: 1-ethyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-5-(1-piperidylsulfonyl)benzimidazole CAS Name: 1-ethyl-2-[(1-phenyl-5-tetrazolyl)methylthio]-5-(1-piperidinylsulfonyl)benzimidazole IUPAC Name: 1-ethyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-5-piperidin-1-ylsulfonylbenzimidazole Traditional Name: 1-ethyl-2-[(1-phenyltetrazol-5-yl)methylthio]-5-piperidinosulfonyl-benzimidazole Formula: C22H25N7O2S2 MolecularWeight: 483.6096

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCC4=NN=NN4C5=CC=CC=C5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCC4=NN=NN4C5=CC=CC=C5

InChI

InChI=1S/C22H25N7O2S2/c1-2-28-20-12-11-18(33(30,31)27-13-7-4-8-14-27)15-19(20)23-22(28)32-16-21-24-25-26-29(21)17-9-5-3-6-10-17/h3,5-6,9-12,15H,2,4,7-8,13-14,16H2,1H3