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

Systemtic Name: 5-(azepan-1-yl)-2-(3-bromophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazole Openeye Name: 5-(azepan-1-yl)-2-(3-bromophenyl)-4-(4-chlorophenyl)sulfonyl-oxazole CAS Name: 5-(1-azepanyl)-2-(3-bromophenyl)-4-(4-chlorophenyl)sulfonyloxazole IUPAC Name: 5-(azepan-1-yl)-2-(3-bromophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazole Traditional Name: 5-(azepan-1-yl)-2-(3-bromophenyl)-4-(4-chlorophenyl)sulfonyl-oxazole Formula: C21H20BrClN2O3S MolecularWeight: 495.8171

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(N=C(O2)C3=CC(=CC=C3)Br)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C2=C(N=C(O2)C3=CC(=CC=C3)Br)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H20BrClN2O3S/c22-16-7-5-6-15(14-16)19-24-20(21(28-19)25-12-3-1-2-4-13-25)29(26,27)18-10-8-17(23)9-11-18/h5-11,14H,1-4,12-13H2