1-methylsulfonyl-4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-methylsulfonyl-4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane Openeye Name: 1-methylsulfonyl-4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]-1,4-diazepane CAS Name: 1-methylsulfonyl-4-[[5-(3-pyridinyl)-2-benzofuranyl]methyl]-1,4-diazepane IUPAC Name: 1-methylsulfonyl-4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane Traditional Name: 1-mesyl-4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]-1,4-diazepane Formula: C20H23N3O3S MolecularWeight: 385.47992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)CC2=CC3=C(O2)C=CC(=C3)C4=CN=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)CC2=CC3=C(O2)C=CC(=C3)C4=CN=CC=C4

InChI

InChI=1S/C20H23N3O3S/c1-27(24,25)23-9-3-8-22(10-11-23)15-19-13-18-12-16(5-6-20(18)26-19)17-4-2-7-21-14-17/h2,4-7,12-14H,3,8-11,15H2,1H3