[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone

Systemtic Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone Openeye Name: [4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-[2-(3-pyridyl)-4-quinolyl]methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-[2-(3-pyridinyl)-4-quinolinyl]methanone IUPAC Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone Traditional Name: [2-(3-pyridyl)-4-quinolyl]-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C27H26N4O3S MolecularWeight: 486.58534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C27H26N4O3S/c1-20-9-11-22(12-10-20)35(33,34)31-15-5-14-30(16-17-31)27(32)24-18-26(21-6-4-13-28-19-21)29-25-8-3-2-7-23(24)25/h2-4,6-13,18-19H,5,14-17H2,1H3