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

Systemtic Name: 1-(2-phenylethenylsulfonyl)-4-[[1-(phenylmethyl)imidazol-2-yl]methyl]-1,4-diazepane Openeye Name: 1-[(1-benzylimidazol-2-yl)methyl]-4-styrylsulfonyl-1,4-diazepane CAS Name: 1-(2-phenylethenylsulfonyl)-4-[[1-(phenylmethyl)-2-imidazolyl]methyl]-1,4-diazepane IUPAC Name: 1-[(1-benzylimidazol-2-yl)methyl]-4-(2-phenylethenylsulfonyl)-1,4-diazepane Traditional Name: 1-[(1-benzylimidazol-2-yl)methyl]-4-styrylsulfonyl-1,4-diazepane Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C=CC2=CC=CC=C2)CC3=NC=CN3CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C=CC2=CC=CC=C2)CC3=NC=CN3CC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O2S/c29-31(30,19-12-22-8-3-1-4-9-22)28-15-7-14-26(17-18-28)21-24-25-13-16-27(24)20-23-10-5-2-6-11-23/h1-6,8-13,16,19H,7,14-15,17-18,20-21H2