2-(azepan-1-ylmethyl)-1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazole

Systemtic Name: 2-(azepan-1-ylmethyl)-1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazole Openeye Name: 2-(azepan-1-ylmethyl)-1-ethyl-5-(1-piperidylsulfonyl)benzimidazole CAS Name: 2-(1-azepanylmethyl)-1-ethyl-5-(1-piperidinylsulfonyl)benzimidazole IUPAC Name: 2-(azepan-1-ylmethyl)-1-ethyl-5-piperidin-1-ylsulfonylbenzimidazole Traditional Name: 2-(azepan-1-ylmethyl)-1-ethyl-5-piperidinosulfonyl-benzimidazole Formula: C21H32N4O2S MolecularWeight: 404.56938

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CN4CCCCCC4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CN4CCCCCC4

InChI

InChI=1S/C21H32N4O2S/c1-2-25-20-11-10-18(28(26,27)24-14-8-5-9-15-24)16-19(20)22-21(25)17-23-12-6-3-4-7-13-23/h10-11,16H,2-9,12-15,17H2,1H3