1-(1-methylimidazol-4-yl)sulfonyl-4-[[1-(phenylmethyl)imidazol-2-yl]methyl]-1,4-diazepane

Systemtic Name: 1-(1-methylimidazol-4-yl)sulfonyl-4-[[1-(phenylmethyl)imidazol-2-yl]methyl]-1,4-diazepane Openeye Name: 1-[(1-benzylimidazol-2-yl)methyl]-4-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepane CAS Name: 1-[(1-methyl-4-imidazolyl)sulfonyl]-4-[[1-(phenylmethyl)-2-imidazolyl]methyl]-1,4-diazepane IUPAC Name: 1-[(1-benzylimidazol-2-yl)methyl]-4-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepane Traditional Name: 1-[(1-benzylimidazol-2-yl)methyl]-4-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepane Formula: C20H26N6O2S MolecularWeight: 414.52444

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1)S(=O)(=O)N2CCCN(CC2)CC3=NC=CN3CC4=CC=CC=C4

Isomeric SMILES

CN1C=C(N=C1)S(=O)(=O)N2CCCN(CC2)CC3=NC=CN3CC4=CC=CC=C4

InChI

InChI=1S/C20H26N6O2S/c1-23-16-20(22-17-23)29(27,28)26-10-5-9-24(12-13-26)15-19-21-8-11-25(19)14-18-6-3-2-4-7-18/h2-4,6-8,11,16-17H,5,9-10,12-15H2,1H3