4-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-1,4-diazepane-1-carbaldehyde

Systemtic Name: 4-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-1,4-diazepane-1-carbaldehyde Openeye Name: 4-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-1,4-diazepane-1-carbaldehyde CAS Name: 4-[[2-ethylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]-1,4-diazepane-1-carboxaldehyde IUPAC Name: 4-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-1,4-diazepane-1-carbaldehyde Traditional Name: 4-[[2-esyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-1,4-diazepane-1-carbaldehyde Formula: C21H30N4O3S MolecularWeight: 418.5529

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)CN3CCCN(CC3)C=O

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)CN3CCCN(CC3)C=O

InChI

InChI=1S/C21H30N4O3S/c1-2-29(27,28)21-22-16-20(17-23-11-7-12-24(18-26)15-14-23)25(21)13-6-10-19-8-4-3-5-9-19/h3-5,8-9,16,18H,2,6-7,10-15,17H2,1H3