4-(5-fluoranyl-2-methyl-phenyl)sulfonyl-7-(2-methylphenyl)-9-(oxolan-3-yloxy)-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 4-(5-fluoranyl-2-methyl-phenyl)sulfonyl-7-(2-methylphenyl)-9-(oxolan-3-yloxy)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-(5-fluoro-2-methyl-phenyl)sulfonyl-7-(o-tolyl)-9-tetrahydrofuran-3-yloxy-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-(5-fluoro-2-methylphenyl)sulfonyl-7-(2-methylphenyl)-9-(3-oxolanyloxy)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-(5-fluoro-2-methylphenyl)sulfonyl-7-(2-methylphenyl)-9-(oxolan-3-yloxy)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-(5-fluoro-2-methyl-phenyl)sulfonyl-7-(o-tolyl)-9-tetrahydrofuran-3-yloxy-3,5-dihydro-2H-1,4-benzoxazepine Formula: C27H28FNO5S MolecularWeight: 497.578323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)S(=O)(=O)N2CCOC3=C(C2)C=C(C=C3OC4CCOC4)C5=CC=CC=C5C

Isomeric SMILES

CC1=C(C=C(C=C1)F)S(=O)(=O)N2CCOC3=C(C2)C=C(C=C3OC4CCOC4)C5=CC=CC=C5C

InChI

InChI=1S/C27H28FNO5S/c1-18-5-3-4-6-24(18)20-13-21-16-29(35(30,31)26-15-22(28)8-7-19(26)2)10-12-33-27(21)25(14-20)34-23-9-11-32-17-23/h3-8,13-15,23H,9-12,16-17H2,1-2H3