1-[2-(4-bromophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]piperidine-4-carboxamide

Systemtic Name: 1-[2-(4-bromophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]piperidine-4-carboxamide Openeye Name: 1-[2-(4-bromophenyl)-4-(p-tolylsulfonyl)oxazol-5-yl]piperidine-4-carboxamide CAS Name: 1-[2-(4-bromophenyl)-4-(4-methylphenyl)sulfonyl-5-oxazolyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-(4-bromophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]piperidine-4-carboxamide Traditional Name: 1-[2-(4-bromophenyl)-4-tosyl-oxazol-5-yl]isonipecotamide Formula: C22H22BrN3O4S MolecularWeight: 504.39678

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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)N4CCC(CC4)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=C(C=C3)Br)N4CCC(CC4)C(=O)N

InChI

InChI=1S/C22H22BrN3O4S/c1-14-2-8-18(9-3-14)31(28,29)21-22(26-12-10-15(11-13-26)19(24)27)30-20(25-21)16-4-6-17(23)7-5-16/h2-9,15H,10-13H2,1H3,(H2,24,27)