1-ethyl-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]-5-piperidin-1-ylsulfonyl-benzimidazole

Systemtic Name: 1-ethyl-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]-5-piperidin-1-ylsulfonyl-benzimidazole Openeye Name: 2-[(4-benzylpiperazin-1-yl)methyl]-1-ethyl-5-(1-piperidylsulfonyl)benzimidazole CAS Name: 1-ethyl-2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-5-(1-piperidinylsulfonyl)benzimidazole IUPAC Name: 2-[(4-benzylpiperazin-1-yl)methyl]-1-ethyl-5-piperidin-1-ylsulfonylbenzimidazole Traditional Name: 2-[(4-benzylpiperazino)methyl]-1-ethyl-5-piperidinosulfonyl-benzimidazole Formula: C26H35N5O2S MolecularWeight: 481.6534

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CN4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CN4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H35N5O2S/c1-2-31-25-12-11-23(34(32,33)30-13-7-4-8-14-30)19-24(25)27-26(31)21-29-17-15-28(16-18-29)20-22-9-5-3-6-10-22/h3,5-6,9-12,19H,2,4,7-8,13-18,20-21H2,1H3