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

Systemtic Name: 1-ethyl-2-[[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-5-piperidin-1-ylsulfonyl-benzimidazole Openeye Name: 2-[(1-benzyltetrazol-5-yl)sulfanylmethyl]-1-ethyl-5-(1-piperidylsulfonyl)benzimidazole CAS Name: 1-ethyl-2-[[[1-(phenylmethyl)-5-tetrazolyl]thio]methyl]-5-(1-piperidinylsulfonyl)benzimidazole IUPAC Name: 2-[(1-benzyltetrazol-5-yl)sulfanylmethyl]-1-ethyl-5-piperidin-1-ylsulfonylbenzimidazole Traditional Name: 2-[[(1-benzyltetrazol-5-yl)thio]methyl]-1-ethyl-5-piperidinosulfonyl-benzimidazole Formula: C23H27N7O2S2 MolecularWeight: 497.63618

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC4=NN=NN4CC5=CC=CC=C5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC4=NN=NN4CC5=CC=CC=C5

InChI

InChI=1S/C23H27N7O2S2/c1-2-29-21-12-11-19(34(31,32)28-13-7-4-8-14-28)15-20(21)24-22(29)17-33-23-25-26-27-30(23)16-18-9-5-3-6-10-18/h3,5-6,9-12,15H,2,4,7-8,13-14,16-17H2,1H3