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

Systemtic Name: 5-(azepan-1-yl)-2-(3-bromophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole Openeye Name: 5-(azepan-1-yl)-2-(3-bromophenyl)-4-(p-tolylsulfonyl)oxazole CAS Name: 5-(1-azepanyl)-2-(3-bromophenyl)-4-(4-methylphenyl)sulfonyloxazole IUPAC Name: 5-(azepan-1-yl)-2-(3-bromophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole Traditional Name: 5-(azepan-1-yl)-2-(3-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(=CC=C3)Br)N4CCCCCC4

Isomeric SMILES

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

InChI

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