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

Systemtic Name: 5-(azepan-1-yl)-2-(4-bromophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole Openeye Name: 5-(azepan-1-yl)-2-(4-bromophenyl)-4-(p-tolylsulfonyl)oxazole CAS Name: 5-(1-azepanyl)-2-(4-bromophenyl)-4-(4-methylphenyl)sulfonyloxazole IUPAC Name: 5-(azepan-1-yl)-2-(4-bromophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole Traditional Name: 5-(azepan-1-yl)-2-(4-bromophenyl)-4-tosyl-oxazole Formula: C22H23BrN2O3S MolecularWeight: 475.39862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN2O3S/c1-16-6-12-19(13-7-16)29(26,27)21-22(25-14-4-2-3-5-15-25)28-20(24-21)17-8-10-18(23)11-9-17/h6-13H,2-5,14-15H2,1H3