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

Systemtic Name: 5-(azepan-1-yl)-4-(4-bromophenyl)sulfonyl-2-phenyl-1,3-oxazole Openeye Name: 5-(azepan-1-yl)-4-(4-bromophenyl)sulfonyl-2-phenyl-oxazole CAS Name: 5-(1-azepanyl)-4-(4-bromophenyl)sulfonyl-2-phenyloxazole IUPAC Name: 5-(azepan-1-yl)-4-(4-bromophenyl)sulfonyl-2-phenyl-1,3-oxazole Traditional Name: 5-(azepan-1-yl)-4-brosyl-2-phenyl-oxazole Formula: C21H21BrN2O3S MolecularWeight: 461.37204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O3S/c22-17-10-12-18(13-11-17)28(25,26)20-21(24-14-6-1-2-7-15-24)27-19(23-20)16-8-4-3-5-9-16/h3-5,8-13H,1-2,6-7,14-15H2