8-[[4-[[1-(phenylmethyl)imidazol-2-yl]methyl]-1,4-diazepan-1-yl]sulfonyl]quinoline

Systemtic Name: 8-[[4-[[1-(phenylmethyl)imidazol-2-yl]methyl]-1,4-diazepan-1-yl]sulfonyl]quinoline Openeye Name: 8-[[4-[(1-benzylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]sulfonyl]quinoline CAS Name: 8-[[4-[[1-(phenylmethyl)-2-imidazolyl]methyl]-1,4-diazepan-1-yl]sulfonyl]quinoline IUPAC Name: 8-[[4-[(1-benzylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]sulfonyl]quinoline Traditional Name: 8-[[4-[(1-benzylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]sulfonyl]quinoline Formula: C25H27N5O2S MolecularWeight: 461.57918

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)CC4=NC=CN4CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)CC4=NC=CN4CC5=CC=CC=C5

InChI

InChI=1S/C25H27N5O2S/c31-33(32,23-11-4-9-22-10-5-12-27-25(22)23)30-15-6-14-28(17-18-30)20-24-26-13-16-29(24)19-21-7-2-1-3-8-21/h1-5,7-13,16H,6,14-15,17-20H2