5-(azepan-1-yl)-2-(2,4-dichlorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole

Systemtic Name: 5-(azepan-1-yl)-2-(2,4-dichlorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole Openeye Name: 5-(azepan-1-yl)-2-(2,4-dichlorophenyl)-4-(p-tolylsulfonyl)oxazole CAS Name: 5-(1-azepanyl)-2-(2,4-dichlorophenyl)-4-(4-methylphenyl)sulfonyloxazole IUPAC Name: 5-(azepan-1-yl)-2-(2,4-dichlorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole Traditional Name: 5-(azepan-1-yl)-2-(2,4-dichlorophenyl)-4-tosyl-oxazole Formula: C22H22Cl2N2O3S MolecularWeight: 465.39268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=C(C=C(C=C3)Cl)Cl)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=C(C=C(C=C3)Cl)Cl)N4CCCCCC4

InChI

InChI=1S/C22H22Cl2N2O3S/c1-15-6-9-17(10-7-15)30(27,28)21-22(26-12-4-2-3-5-13-26)29-20(25-21)18-11-8-16(23)14-19(18)24/h6-11,14H,2-5,12-13H2,1H3