4-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,4-diazepane-1-carbaldehyde

Systemtic Name: 4-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,4-diazepane-1-carbaldehyde Openeye Name: 4-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,4-diazepane-1-carbaldehyde CAS Name: 4-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)-4-imidazolyl]methyl]-1,4-diazepane-1-carboxaldehyde IUPAC Name: 4-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,4-diazepane-1-carbaldehyde Traditional Name: 4-[[3-(2-methoxyethyl)-2-neopentylsulfonyl-imidazol-4-yl]methyl]-1,4-diazepane-1-carbaldehyde Formula: C18H32N4O4S MolecularWeight: 400.53608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CS(=O)(=O)C1=NC=C(N1CCOC)CN2CCCN(CC2)C=O

Isomeric SMILES

CC(C)(C)CS(=O)(=O)C1=NC=C(N1CCOC)CN2CCCN(CC2)C=O

InChI

InChI=1S/C18H32N4O4S/c1-18(2,3)14-27(24,25)17-19-12-16(22(17)10-11-26-4)13-20-6-5-7-21(15-23)9-8-20/h12,15H,5-11,13-14H2,1-4H3