4-[[2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl]-1,4-diazepane-1-carbaldehyde

Systemtic Name: 4-[[2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl]-1,4-diazepane-1-carbaldehyde Openeye Name: 4-[[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]-1,4-diazepane-1-carbaldehyde CAS Name: 4-[[2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)-4-imidazolyl]methyl]-1,4-diazepane-1-carboxaldehyde IUPAC Name: 4-[[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]-1,4-diazepane-1-carbaldehyde Traditional Name: 4-[[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]-1,4-diazepane-1-carbaldehyde Formula: C20H28N4O4S MolecularWeight: 420.52572

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Descriptors Computed from Structure

Canonical SMILES:

COCCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)CN3CCCN(CC3)C=O

Isomeric SMILES

COCCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)CN3CCCN(CC3)C=O

InChI

InChI=1S/C20H28N4O4S/c1-28-12-13-29(26,27)20-21-14-19(24(20)15-18-6-3-2-4-7-18)16-22-8-5-9-23(17-25)11-10-22/h2-4,6-7,14,17H,5,8-13,15-16H2,1H3