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

Systemtic Name: 5-(azepan-1-yl)-2-(2-bromophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazole Openeye Name: 5-(azepan-1-yl)-2-(2-bromophenyl)-4-(4-chlorophenyl)sulfonyl-oxazole CAS Name: 5-(1-azepanyl)-2-(2-bromophenyl)-4-(4-chlorophenyl)sulfonyloxazole IUPAC Name: 5-(azepan-1-yl)-2-(2-bromophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazole Traditional Name: 5-(azepan-1-yl)-2-(2-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=C3Br)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C2=C(N=C(O2)C3=CC=CC=C3Br)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H20BrClN2O3S/c22-18-8-4-3-7-17(18)19-24-20(21(28-19)25-13-5-1-2-6-14-25)29(26,27)16-11-9-15(23)10-12-16/h3-4,7-12H,1-2,5-6,13-14H2