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

Systemtic Name: 1-[(2-methylsulfonylphenyl)methyl]-4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(2-methylsulfonylphenyl)methyl]-4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]-1,4-diazepane CAS Name: 1-[(2-methylsulfonylphenyl)methyl]-4-[[5-(3-pyridinyl)-2-benzofuranyl]methyl]-1,4-diazepane IUPAC Name: 1-[(2-methylsulfonylphenyl)methyl]-4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane Traditional Name: 1-(2-mesylbenzyl)-4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]-1,4-diazepane Formula: C27H29N3O3S MolecularWeight: 475.60246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1CN2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CN=CC=C5

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1CN2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CN=CC=C5

InChI

InChI=1S/C27H29N3O3S/c1-34(31,32)27-8-3-2-6-23(27)19-29-12-5-13-30(15-14-29)20-25-17-24-16-21(9-10-26(24)33-25)22-7-4-11-28-18-22/h2-4,6-11,16-18H,5,12-15,19-20H2,1H3