5-[(4-methylphenyl)methylamino]-2-(4-morpholin-4-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-[(4-methylphenyl)methylamino]-2-(4-morpholin-4-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 2-(4-morpholinosulfonylphenyl)-5-(p-tolylmethylamino)oxazole-4-carbonitrile CAS Name: 5-[(4-methylphenyl)methylamino]-2-[4-(4-morpholinylsulfonyl)phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-[(4-methylphenyl)methylamino]-2-(4-morpholin-4-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-[(4-methylbenzyl)amino]-2-(4-morpholinosulfonylphenyl)oxazole-4-carbonitrile Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C#N

InChI

InChI=1S/C22H22N4O4S/c1-16-2-4-17(5-3-16)15-24-22-20(14-23)25-21(30-22)18-6-8-19(9-7-18)31(27,28)26-10-12-29-13-11-26/h2-9,24H,10-13,15H2,1H3