1-(azepan-1-yl)-2-[2-(phenylmethyl)sulfonylbenzimidazol-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[2-(phenylmethyl)sulfonylbenzimidazol-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-(2-benzylsulfonylbenzimidazol-1-yl)ethanone CAS Name: 1-(1-azepanyl)-2-[2-(phenylmethyl)sulfonyl-1-benzimidazolyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-(2-benzylsulfonylbenzimidazol-1-yl)ethanone Traditional Name: 1-(azepan-1-yl)-2-(2-benzylsulfonylbenzimidazol-1-yl)ethanone Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C3=CC=CC=C3N=C2S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C3=CC=CC=C3N=C2S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3S/c26-21(24-14-8-1-2-9-15-24)16-25-20-13-7-6-12-19(20)23-22(25)29(27,28)17-18-10-4-3-5-11-18/h3-7,10-13H,1-2,8-9,14-17H2